N-{3-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-{3-[3-methyl-4-(3-methylphenyl)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: | E715-0173 |
| Compound Name: | N-{3-[3-methyl-4-(3-methylphenyl)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: | CC1CN(CCCNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)CCN1c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8543 |
| logD: | 3.2864 |
| logSw: | -3.7597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.245 |
| InChI Key: | UOSJYDWHBBYCAJ-UHFFFAOYSA-N |