4-methoxy-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide
Chemical Structure Depiction of
4-methoxy-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide
4-methoxy-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide
Compound characteristics
| Compound ID: | 1503-0025 |
| Compound Name: | 4-methoxy-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide |
| Molecular Weight: | 542.87 |
| Molecular Formula: | C22 H22 Cl3 N5 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccc(cc1)OC)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7837 |
| logD: | 2.5734 |
| logSw: | -3.7468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.285 |
| InChI Key: | WOLRTYKJTDWYGN-FQEVSTJZSA-N |