2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | Y501-9150 |
| Compound Name: | 2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C26 H23 N5 O5 |
| Smiles: | COc1ccc(cc1)N1C(c2ccc(c(Cn3cc(cn3)[N+]([O-])=O)c2)OC)Nc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0267 |
| logD: | 4.0267 |
| logSw: | -4.2254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.793 |
| InChI Key: | FJOOXMFFILCEPE-VWLOTQADSA-N |