4-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-4222 |
| Compound Name: | 4-[2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | C(CC(NCC1CCCO1)=O)CN1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7606 |
| logD: | 1.7606 |
| logSw: | -2.6711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.257 |
| InChI Key: | RQKQEPPXZHDYSK-LJQANCHMSA-N |