ethyl 4-({2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioyl}amino)benzoate
ethyl 4-({2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y503-4006 |
| Compound Name: | ethyl 4-({2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioyl}amino)benzoate |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C17 H20 Br N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NNC(Cn1c(C)c(c(C)n1)[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2915 |
| logD: | 2.2842 |
| logSw: | -2.811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.26 |
| InChI Key: | UAXYXZVKSOVIBO-UHFFFAOYSA-N |