2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
Compound ID: | 4333-6730 |
Compound Name: | 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one |
Molecular Weight: | 513.55 |
Molecular Formula: | C28 H27 N5 O5 |
Smiles: | Cc1c(c(C)n(Cc2cc(ccc2OC)C2Nc3ccccc3C(N2c2ccc(cc2)OC)=O)n1)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3358 |
logD: | 4.3358 |
logSw: | -4.5629 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 88.967 |
InChI Key: | TZLWKERBWZOKKK-MHZLTWQESA-N |