N-(3-chloro-4-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(3-chloro-4-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0014 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C23 H27 Cl N6 O2 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6055 |
| logD: | 3.5974 |
| logSw: | -3.8354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.251 |
| InChI Key: | CDSTZQKXRNTMEK-HNNXBMFYSA-N |