3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-0695 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | COc1ccc(CCN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2459 |
| logD: | 4.2459 |
| logSw: | -4.3519 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.392 |
| InChI Key: | WNKKOKCNNRRCMQ-UHFFFAOYSA-N |