N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0459 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCc2cccc(c2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.3364 |
| logD: | 5.335 |
| logSw: | -5.7674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.333 |
| InChI Key: | XNJHKTSGSBAGFL-UHFFFAOYSA-N |