2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1245 |
| Compound Name: | 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C30 H31 N3 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccc(C)cc3)C(=Nc2c1)SCC(c1cc(C)ccc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6801 |
| logD: | 5.6801 |
| logSw: | -5.267 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.677 |
| InChI Key: | NXIPHKUKSCTEHO-UHFFFAOYSA-N |