N-(4-chloro-2-fluorophenyl)-4-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3194 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C19 H17 Cl F N3 O5 S |
| Smiles: | C1COCCN1C(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3643 |
| logD: | 2.4192 |
| logSw: | -3.9506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.742 |
| InChI Key: | XPUVUZCYHVPHNI-UHFFFAOYSA-N |