3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3870 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C24 H19 N3 O5 S |
| Smiles: | C(C1COc2ccccc2O1)N1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0729 |
| logD: | 4.0729 |
| logSw: | -4.4494 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.832 |
| InChI Key: | XGIGBRMMDMPXJW-SFHVURJKSA-N |