2-{[(2-chloro-6-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-6-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | G836-0261 |
Compound Name: | 2-{[(2-chloro-6-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)SCc1c(cccc1[Cl])F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3627 |
logD: | 4.3627 |
logSw: | -4.5401 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.11 |
InChI Key: | LJNJWQVDGQZWCO-QGZVFWFLSA-N |