1-(4-{4-[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | E715-0308 |
| Compound Name: | 1-(4-{4-[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C28 H35 N7 O2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9418 |
| logD: | 2.936 |
| logSw: | -2.9452 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.264 |
| InChI Key: | MHABEPWQJCDEMM-QFIPXVFZSA-N |