2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0243 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.03 |
| Molecular Formula: | C26 H27 Cl F N3 O3 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1c(cccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6547 |
| logD: | 4.6547 |
| logSw: | -4.9573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.93 |
| InChI Key: | FEXCXWUMTSCEOT-GOSISDBHSA-N |