N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
Compound ID: | K781-3208 |
Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
Molecular Weight: | 491.97 |
Molecular Formula: | C23 H23 Cl F N3 O4 S |
Smiles: | C1CCC(CCNC(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccc(cc2F)[Cl])=O)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 5.0866 |
logD: | 4.1415 |
logSw: | -5.5115 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.946 |
InChI Key: | CXOJXPWRFCMHPS-UHFFFAOYSA-N |