4-chloro-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-chloro-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
4-chloro-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | Y510-4406 |
| Compound Name: | 4-chloro-2-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 389.82 |
| Molecular Formula: | C16 H12 Cl N5 O3 S |
| Smiles: | C(C(Nc1cc(ccc1C(O)=O)[Cl])=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2551 |
| logD: | -1.0166 |
| logSw: | -3.7023 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.748 |
| InChI Key: | BAQPJVVGISXFEK-UHFFFAOYSA-N |