3-benzyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0015708 |
Compound Name: | 3-benzyl-N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 582.64 |
Molecular Formula: | C31 H26 N4 O6 S |
Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.3167 |
logD: | 5.3142 |
logSw: | -5.2956 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 97.505 |
InChI Key: | TYLINYHIBNULMH-UHFFFAOYSA-N |