4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3187 |
| Compound Name: | 4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 563.55 |
| Molecular Formula: | C26 H24 F3 N3 O6 S |
| Smiles: | COc1ccc(CCNC(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccccc2C(F)(F)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.127 |
| logD: | 4.1257 |
| logSw: | -4.3675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.015 |
| InChI Key: | LWTGIJUFKGDYLD-UHFFFAOYSA-N |