N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(2-methoxy-4-nitrophenyl)urea
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(2-methoxy-4-nitrophenyl)urea
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(2-methoxy-4-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y206-9598 |
| Compound Name: | N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-(2-methoxy-4-nitrophenyl)urea |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(Nc2ccc(cc2OC)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5064 |
| logD: | 3.4786 |
| logSw: | -3.6669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.742 |
| InChI Key: | VDSYVRLLPXAPEV-UHFFFAOYSA-N |