3-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)butanamide
3-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)butanamide
Compound characteristics
| Compound ID: | 1501-0707 |
| Compound Name: | 3-methyl-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)butanamide |
| Molecular Weight: | 492.85 |
| Molecular Formula: | C19 H24 Cl3 N5 O2 S |
| Smiles: | CC(C)CC(NC(C([Cl])([Cl])[Cl])NC(NC1=C(C)N(C)N(C1=O)c1ccccc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7706 |
| logD: | 2.7309 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.799 |
| InChI Key: | NEDBYDCHUXLCFH-KRWDZBQOSA-N |