N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0481 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCc2ccc(cc2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1224 |
| logD: | 5.121 |
| logSw: | -5.3639 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.333 |
| InChI Key: | FHHVDZGJHOCMOS-UHFFFAOYSA-N |