2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0265 |
| Compound Name: | 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 504.02 |
| Molecular Formula: | C25 H27 Cl F N3 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5132 |
| logD: | 4.5132 |
| logSw: | -4.5714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.11 |
| InChI Key: | BPOQHBBSIXHNRE-LJQANCHMSA-N |