N-(2-methoxy-4-nitrophenyl)-N'-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}urea
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-N'-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}urea
N-(2-methoxy-4-nitrophenyl)-N'-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}urea
Compound characteristics
| Compound ID: | G760-0176 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-N'-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}urea |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | Cc1c(CNC(Nc2ccc(cc2OC)[N+]([O-])=O)=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1315 |
| logD: | 4.1284 |
| logSw: | -4.3551 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.387 |
| InChI Key: | IDHUZDYATXXPEK-UHFFFAOYSA-N |