4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3178 |
| Compound Name: | 4-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 507.53 |
| Molecular Formula: | C24 H24 F3 N3 O4 S |
| Smiles: | C1CCC(CCNC(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccccc2C(F)(F)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9803 |
| logD: | 4.9791 |
| logSw: | -4.8181 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.946 |
| InChI Key: | VBIBKFYIVBQOPT-UHFFFAOYSA-N |