1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]piperidine-3-carboxamide
1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0167 |
| Compound Name: | 1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]piperidine-3-carboxamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C28 H33 N7 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(NC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3579 |
| logD: | 3.3509 |
| logSw: | -3.5098 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.879 |
| InChI Key: | JEAHRHPALRGVGM-KRWDZBQOSA-N |