butyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
butyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y500-9750 |
| Compound Name: | butyl 4-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 408.91 |
| Molecular Formula: | C18 H21 Cl N4 O3 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(NC(c1c(c(C)nn1C)[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.182 |
| logD: | 4.1779 |
| logSw: | -4.6051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.156 |
| InChI Key: | HHGCACHXRAJBEX-UHFFFAOYSA-N |