2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-2,3-dihydroquinazolin-4(1H)-one
2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 4333-6993 |
| Compound Name: | 2-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-[(furan-2-yl)methyl]-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 521.41 |
| Molecular Formula: | C26 H25 Br N4 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cc(ccc2OC)C2Nc3ccccc3C(N2Cc2ccco2)=O)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5883 |
| logD: | 4.5882 |
| logSw: | -4.4933 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.004 |
| InChI Key: | TWRHKYZEEGHTTJ-VWLOTQADSA-N |