4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 5417-0891 |
| Compound Name: | 4-(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | C1CCC(CC1)NC(CSc1nnnn1c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6393 |
| logD: | -0.2468 |
| logSw: | -2.9267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.494 |
| InChI Key: | KLJRHMVMGHYXED-UHFFFAOYSA-N |