3-nitrophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1995 |
| Compound Name: | 3-nitrophenyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C21 H16 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2542 |
| logD: | 5.254 |
| logSw: | -5.609 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.055 |
| InChI Key: | VYGOUDGUDJJEQV-UHFFFAOYSA-N |