ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}benzoate
ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | C270-0025 |
| Compound Name: | ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC1=C(C)N(C)N(C1=O)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0426 |
| logD: | 3.0421 |
| logSw: | -3.365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.196 |
| InChI Key: | VHIPAQGIYDSZNX-UHFFFAOYSA-N |