5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-tetrazol-1-yl)benzamide
5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | Y501-7200 |
| Compound Name: | 5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 480.88 |
| Molecular Formula: | C18 H17 Cl N6 O6 S |
| Smiles: | COc1cc(c(cc1C(Nc1cc(cc(c1)SCC(CO)O)[N+]([O-])=O)=O)[Cl])n1cnnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7872 |
| logD: | 1.3939 |
| logSw: | -3.3579 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 137.541 |
| InChI Key: | VMPNDVGYWHOYIG-LBPRGKRZSA-N |