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Predicted properties of the compound entered.

ID AANBSGQIEUVZIK-UZLBHIALSA-N
Formula C25H22Cl2FN3O4S
IUPAC Name (2S,4R)-1-{[1-(2-chloro-5-fluorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorobenzene)sulfonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C25H22Cl2FN3O4S/c26-18-6-5-15(28)11-17(18)25(9-10-25)23(33)31-13-16(36(34,35)21-4-2-1-3-19(21)27)12-20(31)22(32)30-24(14-29)7-8-24/h1-6,11,16,20H,7-10,12-13H2,(H,30,32)/t16-,20+/m1/s1
Standard InChIKey (User Input) InChIKey=AANBSGQIEUVZIK-UZLBHIALSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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