4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 5417-0889 |
| Compound Name: | 4-(5-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 373.36 |
| Molecular Formula: | C16 H12 F N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7725 |
| logD: | -0.1137 |
| logSw: | -3.2213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.446 |
| InChI Key: | UYBBALVEQPFSCM-UHFFFAOYSA-N |