2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0258 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.269 |
| logD: | 4.269 |
| logSw: | -4.4869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.11 |
| InChI Key: | JWTBAORHSQEALM-HXUWFJFHSA-N |