N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0496 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C25 H29 N7 O2 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C1CCN(CC1)c1c3c(ncn1)n1CCCCCc1n3)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.642 |
| logD: | 4.6361 |
| logSw: | -4.3063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.572 |
| InChI Key: | JZOOGNUHKCAPMH-UHFFFAOYSA-N |