N-(4-chloro-2-fluorophenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3195 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 503.94 |
| Molecular Formula: | C23 H19 Cl F N3 O5 S |
| Smiles: | COc1ccccc1CNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1627 |
| logD: | 4.2177 |
| logSw: | -5.6545 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | ZDQDYUSTIHWGMZ-UHFFFAOYSA-N |