3-chloro-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
3-chloro-N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)benzamide
3-chloro-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: | 1503-0026 |
| Compound Name: | 3-chloro-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: | 547.29 |
| Molecular Formula: | C21 H19 Cl4 N5 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4641 |
| logD: | 2.4255 |
| logSw: | -4.0797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.741 |
| InChI Key: | UTOVFPOPGGPATK-IBGZPJMESA-N |