ethyl 4-({[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)benzoate
ethyl 4-({[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y503-4003 |
| Compound Name: | ethyl 4-({[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 439.37 |
| Molecular Formula: | C18 H23 Br N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCCn1c(C)c(c(C)n1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4171 |
| logD: | 3.4171 |
| logSw: | -3.5176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.51 |
| InChI Key: | HQTRXSOBQYHQEJ-UHFFFAOYSA-N |