N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-3-(1H-tetrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-3-(1H-tetrazol-1-yl)propanamide
N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-3-(1H-tetrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y501-9249 |
| Compound Name: | N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-3-(1H-tetrazol-1-yl)propanamide |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C13 H16 N6 O5 S |
| Smiles: | C(Cn1cnnn1)C(Nc1cc(cc(c1)SCC(CO)O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2523 |
| logD: | 0.2505 |
| logSw: | -2.23 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 130.396 |
| InChI Key: | KLKSQZVHWFOSMQ-NSHDSACASA-N |