N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-4384 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CCN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0642 |
| logD: | 3.0642 |
| logSw: | -3.6567 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.705 |
| InChI Key: | MWCNPENBFQOIEQ-UHFFFAOYSA-N |