N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0169 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C31 H44 N8 O |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1078 |
| logD: | 2.907 |
| logSw: | -4.1125 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.726 |
| InChI Key: | ORDYOUKBVLTKBR-VWLOTQADSA-N |