N-[2-(4-methylpiperazin-1-yl)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-methylpiperazin-1-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0528 |
| Compound Name: | N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 440.59 |
| Molecular Formula: | C23 H36 N8 O |
| Smiles: | CN1CCN(CCNC(C2CCN(CC2)c2c3c(ncn2)n2CCCCCc2n3)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.1644 |
| logD: | 0.4969 |
| logSw: | -1.6746 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.31 |
| InChI Key: | SHBIIEHNLKOSJH-UHFFFAOYSA-N |