2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-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-hydroxy-2,3-dihydroquinazolin-4(1H)-one
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 6049-0130 |
| Compound Name: | 2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 423.43 |
| Molecular Formula: | C21 H21 N5 O5 |
| Smiles: | Cc1c(c(C)n(Cc2cc(ccc2OC)C2Nc3ccccc3C(N2O)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0014 |
| logD: | 1.9539 |
| logSw: | -3.0014 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.468 |
| InChI Key: | GFYGVIBNZGKTOU-FQEVSTJZSA-N |