N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)furan-2-carboxamide
Chemical Structure Depiction of
N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)furan-2-carboxamide
N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | 1309-0145 |
| Compound Name: | N-(2,2,2-trichloro-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}ethyl)furan-2-carboxamide |
| Molecular Weight: | 502.81 |
| Molecular Formula: | C19 H18 Cl3 N5 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(C([Cl])([Cl])[Cl])NC(c1ccco1)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0623 |
| logD: | 1.9022 |
| logSw: | -2.8105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.32 |
| InChI Key: | QPKJDLNVFMAUGV-KRWDZBQOSA-N |