N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine
Compound characteristics
| Compound ID: | K297-0461 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4-amine |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H24 F N3 O2 S |
| Smiles: | COc1ccc(CCNc2c3ccccc3nc(n2)SCc2cccc(c2)F)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.5964 |
| logD: | 5.595 |
| logSw: | -5.8936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.952 |
| InChI Key: | HPSQOQOFXJGHMM-UHFFFAOYSA-N |