3-(3,3-diethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(3,3-diethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4424 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CCOC(CCN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.6266 |
| logD: | 3.6266 |
| logSw: | -3.8725 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.057 |
| InChI Key: | DCEAVUUKUCFPPA-UHFFFAOYSA-N |