4,5-dimethoxy-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4,5-dimethoxy-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
4,5-dimethoxy-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | Y510-4412 |
| Compound Name: | 4,5-dimethoxy-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C18 H17 N5 O5 S |
| Smiles: | COc1cc(C(O)=O)c(cc1OC)NC(CSc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9176 |
| logD: | -1.1497 |
| logSw: | -2.8656 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.009 |
| InChI Key: | NZIQXTWFSMYAEZ-UHFFFAOYSA-N |