butyl 4-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
butyl 4-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
butyl 4-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y500-5814 |
| Compound Name: | butyl 4-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}amino)benzoate |
| Molecular Weight: | 474.35 |
| Molecular Formula: | C22 H24 Br N3 O4 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(c1ccc(Cn2c(C)c(c(C)n2)[Br])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0337 |
| logD: | 5.0329 |
| logSw: | -4.6145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.501 |
| InChI Key: | AJYJNDSFSKGVIA-UHFFFAOYSA-N |