N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydropyrido[1,2-e]purin-4-amine
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydropyrido[1,2-e]purin-4-amine
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydropyrido[1,2-e]purin-4-amine
Compound characteristics
| Compound ID: | E715-0886 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9-tetrahydropyrido[1,2-e]purin-4-amine |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C18 H21 N5 S |
| Smiles: | CSc1ccc(CCNc2c3c(ncn2)n2CCCCc2n3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3996 |
| logD: | 3.3979 |
| logSw: | -3.6636 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.595 |
| InChI Key: | BXKPGLISPVMPBU-UHFFFAOYSA-N |