N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C066-4471 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 565.16 |
| Molecular Formula: | C30 H41 Cl N8 O |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(C2CCN(CC2)c2c3c(ncn2)n2CCCCCc2n3)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3874 |
| logD: | 3.1866 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.792 |
| InChI Key: | KPZJSMMTQZODKU-UHFFFAOYSA-N |