3-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y502-5023 |
| Compound Name: | 3-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7003 |
| logD: | 2.7003 |
| logSw: | -3.5043 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.19 |
| InChI Key: | XTVTZCUDEKMCSL-UHFFFAOYSA-N |