N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-3-methylbutanamide
N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | 5646-1696 |
| Compound Name: | N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]-3-methylbutanamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CC(C)CC(NC(NC1=C(C)N(C)N(C1=O)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5216 |
| logD: | 1.0956 |
| logSw: | -2.1199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.679 |
| InChI Key: | CZLZGLVXYFSFJQ-UHFFFAOYSA-N |