4-(5-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3316-0005 |
| Compound Name: | 4-(5-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 419.84 |
| Molecular Formula: | C17 H14 Cl N5 O4 S |
| Smiles: | COc1ccc(cc1NC(CSc1nnnn1c1ccc(cc1)C(O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9963 |
| logD: | 0.1101 |
| logSw: | -3.5056 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.379 |
| InChI Key: | IYTUMIKSIUXZTI-UHFFFAOYSA-N |