N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3193 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 547.99 |
| Molecular Formula: | C25 H23 Cl F N3 O6 S |
| Smiles: | COc1ccc(CCNC(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccc(cc2F)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2332 |
| logD: | 3.2882 |
| logSw: | -4.6523 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.015 |
| InChI Key: | SZNYGDDJROARSQ-UHFFFAOYSA-N |