2-chloro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
2-chloro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | Y501-7204 |
| Compound Name: | 2-chloro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 420.83 |
| Molecular Formula: | C16 H13 Cl N6 O4 S |
| Smiles: | C(CSc1cc(cc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])n1cnnn1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.4484 |
| logD: | 2.1991 |
| logSw: | -3.5673 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.132 |
| InChI Key: | LYPUBMNAZXNKNS-UHFFFAOYSA-N |