N-(4-bromo-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(4-bromo-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0407 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 483.41 |
| Molecular Formula: | C23 H27 Br N6 O |
| Smiles: | Cc1cc(ccc1NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3667 |
| logD: | 4.3599 |
| logSw: | -4.2101 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.989 |
| InChI Key: | QACXLOGHKJFBIP-UHFFFAOYSA-N |