N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0077 |
| Compound Name: | N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 532.69 |
| Molecular Formula: | C29 H40 N8 O2 |
| Smiles: | COc1ccc(cc1)N1CCN(CCNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9306 |
| logD: | 2.784 |
| logSw: | -3.1473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.57 |
| InChI Key: | XHBLQHQOVADDRL-QFIPXVFZSA-N |