methyl 3-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E715-0514 |
| Compound Name: | methyl 3-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C22 H26 N6 O3 S |
| Smiles: | COC(c1c(ccs1)NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9669 |
| logD: | 2.8261 |
| logSw: | -3.2351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.181 |
| InChI Key: | CBAIQLJQHNZGIJ-UHFFFAOYSA-N |