methyl 6-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E715-0521 |
| Compound Name: | methyl 6-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C25 H28 N6 O5 |
| Smiles: | COC(c1cc2c(cc1NC(C1CCN(CC1)c1c3c(ncn1)n1CCCCCc1n3)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.261 |
| logD: | 2.6158 |
| logSw: | -3.3899 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.278 |
| InChI Key: | SNVWEMXYSFIGHZ-UHFFFAOYSA-N |