N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3269 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 562.64 |
| Molecular Formula: | C29 H30 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCc2cccc(c2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.811 |
| logD: | 2.811 |
| logSw: | -3.6234 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.705 |
| InChI Key: | NTEIBIPMQUDEOA-UHFFFAOYSA-N |