N-(1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0003 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C23 H25 N7 O S |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(Nc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.043 |
| logD: | 4.0368 |
| logSw: | -4.0449 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.382 |
| InChI Key: | GCVSLXYOFAQHCA-HNNXBMFYSA-N |