N-(5-chloro-2-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0401 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C23 H27 Cl N6 O2 |
| Smiles: | COc1ccc(cc1NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8013 |
| logD: | 3.7766 |
| logSw: | -4.2821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.619 |
| InChI Key: | WKQLZWKDSOKYEQ-UHFFFAOYSA-N |