2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4573 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N,3-bis[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C26 H28 N4 O6 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(CC4CCCO4)C(=Nc3c2)SCc2ccc(cc2)[N+]([O-])=O)=O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.227 |
| logD: | 2.227 |
| logSw: | -2.9492 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.874 |
| InChI Key: | MZCCHBVNUMWETF-UHFFFAOYSA-N |