4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | 6646-0021 |
| Compound Name: | 4-(5-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C16 H13 N5 O4 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1nnnn1c1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9991 |
| logD: | 0.8167 |
| logSw: | -2.0188 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 120.291 |
| InChI Key: | IORNAGYAHIJMSI-UHFFFAOYSA-N |