ethyl 4-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]benzoate
ethyl 4-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | Y500-9689 |
| Compound Name: | ethyl 4-[({4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NC(c1ccc(Cn2cc(cn2)[Br])cc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4518 |
| logD: | 4.4511 |
| logSw: | -4.0124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.499 |
| InChI Key: | HMACXKWNKLLJOT-UHFFFAOYSA-N |