5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y020-0895 |
| Compound Name: | 5-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 274.3 |
| Molecular Formula: | C11 H10 N6 O S |
| Smiles: | C1C(CSc2nnnn2c2ccccc2)=NNC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.107 |
| logD: | 0.9113 |
| logSw: | -2.0977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.567 |
| InChI Key: | WHGHQICOEWLCDV-UHFFFAOYSA-N |