N-(4-chloro-2-fluorophenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
N-(4-chloro-2-fluorophenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3198 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-3-nitrobenzamide |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C20 H21 Cl F N3 O4 S |
| Smiles: | CC(C)CCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.809 |
| logD: | 3.864 |
| logSw: | -4.8542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.025 |
| InChI Key: | ZLXHWBYIMDGHSI-UHFFFAOYSA-N |