N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0482 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H24 F N3 O2 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCc2ccc(cc2)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2258 |
| logD: | 5.2244 |
| logSw: | -5.4286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.952 |
| InChI Key: | HOCJJCQOTKCBQK-UHFFFAOYSA-N |