N-[3-(methylsulfanyl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0472 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C23 H28 N6 O S |
| Smiles: | CSc1cccc(c1)NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7108 |
| logD: | 3.705 |
| logSw: | -3.8323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.687 |
| InChI Key: | RBEDNLGAXHWJNR-UHFFFAOYSA-N |