ethyl (2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}-1,3-thiazol-4-yl)acetate
ethyl (2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | E715-0230 |
| Compound Name: | ethyl (2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C23 H29 N7 O3 S |
| Smiles: | CCOC(Cc1csc(NC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0784 |
| logD: | 3.0569 |
| logSw: | -3.1624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.321 |
| InChI Key: | ILGXFUPERCWJRW-HNNXBMFYSA-N |