2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | G836-0185 |
Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 482.56 |
Molecular Formula: | C24 H26 N4 O5 S |
Smiles: | CCCNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1162 |
logD: | 3.1162 |
logSw: | -3.6356 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.333 |
InChI Key: | YVYTWUHISVDXOA-LJQANCHMSA-N |