2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0543 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C30 H31 N3 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SC(C)C(c1ccc(C)c(C)c1)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4219 |
| logD: | 5.4218 |
| logSw: | -5.4872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.101 |
| InChI Key: | XLGDRVMQLXOEIZ-FQEVSTJZSA-N |