4-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
4-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | L150-0336 |
| Compound Name: | 4-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C16 H11 F N4 O3 S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nnnn1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8997 |
| logD: | 0.0135 |
| logSw: | -3.3594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.544 |
| InChI Key: | QHIJCAHVLMRUAZ-UHFFFAOYSA-N |