2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | Y501-7201 |
| Compound Name: | 2-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-5-(1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 450.86 |
| Molecular Formula: | C17 H15 Cl N6 O5 S |
| Smiles: | C(C(CSc1cc(cc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])n1cnnn1)=O)O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1285 |
| logD: | 1.8792 |
| logSw: | -3.3341 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 130.211 |
| InChI Key: | LIPZBKDXVRKSSK-ZDUSSCGKSA-N |