3-(4-chlorophenyl)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one
3-(4-chlorophenyl)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 4333-6832 |
| Compound Name: | 3-(4-chlorophenyl)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C27 H24 Cl N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2cc(ccc2OC)C2Nc3ccccc3C(N2c2ccc(cc2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9481 |
| logD: | 4.9481 |
| logSw: | -5.2028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.423 |
| InChI Key: | LXKKTVBIJJRMSN-SANMLTNESA-N |