N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0533 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C25 H32 N6 O S |
| Smiles: | CSc1ccc(CCNC(C2CCN(CC2)c2c3c(ncn2)n2CCCCCc2n3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8316 |
| logD: | 3.8258 |
| logSw: | -3.7598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.85 |
| InChI Key: | IVKYKYZHJXDODH-UHFFFAOYSA-N |