butyl 4-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]benzoate
butyl 4-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | Y501-0090 |
| Compound Name: | butyl 4-[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C21 H21 Cl N4 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(NC(c1ccc(Cn2cc(cn2)[Cl])o1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0485 |
| logD: | 5.0483 |
| logSw: | -5.0909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.634 |
| InChI Key: | CAICEVJMRSMKEB-UHFFFAOYSA-N |