2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0365 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 500.02 |
| Molecular Formula: | C25 H26 Cl N3 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3022 |
| logD: | 3.3022 |
| logSw: | -3.935 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.331 |
| InChI Key: | DGKPZNJRVYVHCE-LJQANCHMSA-N |