N-[2-(2-chloro-4-nitroanilino)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}benzamide
Chemical Structure Depiction of
N-[2-(2-chloro-4-nitroanilino)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}benzamide
N-[2-(2-chloro-4-nitroanilino)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}benzamide
Compound characteristics
| Compound ID: | 8014-8746 |
| Compound Name: | N-[2-(2-chloro-4-nitroanilino)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}benzamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C22 H19 Cl F N3 O3 S |
| Smiles: | C(CNc1ccc(cc1[Cl])[N+]([O-])=O)NC(c1ccccc1SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8614 |
| logD: | 4.8614 |
| logSw: | -5.0045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.253 |
| InChI Key: | VYRQCHHFZJUWER-UHFFFAOYSA-N |