2-{[(4-nitrophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]quinazolin-4(3H)-one
2-{[(4-nitrophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3862 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-3-[(oxolan-2-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | C1CC(CN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)[N+]([O-])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8585 |
| logD: | 2.8585 |
| logSw: | -3.65 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.807 |
| InChI Key: | NUXVSLFIJPIWPU-MRXNPFEDSA-N |