N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0113 |
| Compound Name: | N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 488.64 |
| Molecular Formula: | C27 H36 N8 O |
| Smiles: | CN1CCN(CC1)c1ccccc1NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0118 |
| logD: | 2.5368 |
| logSw: | -3.2991 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.55 |
| InChI Key: | YPBFWEGFGBMTMM-FQEVSTJZSA-N |