N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0166 |
| Compound Name: | N-[3-(3,4-diethoxyphenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C29 H35 N7 O4 |
| Smiles: | CCOc1ccc(cc1OCC)c1cc(NC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8907 |
| logD: | 3.8837 |
| logSw: | -3.8987 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.322 |
| InChI Key: | JFNHOHAKYQCAPL-FQEVSTJZSA-N |