{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl]sulfanyl}acetic acid
{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 4854-0003 |
| Compound Name: | {[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl]sulfanyl}acetic acid |
| Molecular Weight: | 351.44 |
| Molecular Formula: | C15 H17 N3 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N(C)C(=S)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0142 |
| logD: | -1.5664 |
| logSw: | -1.7487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.535 |
| InChI Key: | UYNFCSBHNKVDRC-UHFFFAOYSA-N |