N-(3,4-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(3,4-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0399 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C24 H30 N6 O3 |
| Smiles: | COc1ccc(cc1OC)NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7848 |
| logD: | 2.7788 |
| logSw: | -3.33 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.948 |
| InChI Key: | MZBRKTQOBWJUIM-UHFFFAOYSA-N |