4-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
4-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8013-1297 |
| Compound Name: | 4-[3-(3-cyclopropyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C15 H13 N5 O2 S |
| Smiles: | C1CC1c1cc(c2nnc(n2c2ccc(cc2)C(O)=O)S)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.696 |
| logD: | -0.1901 |
| logSw: | -2.9061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.879 |
| InChI Key: | CITMGAYWFLLRGW-UHFFFAOYSA-N |