methyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}benzoate
methyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E715-0413 |
| Compound Name: | methyl 2-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | COC(c1ccccc1NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.273 |
| logD: | 3.199 |
| logSw: | -3.492 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.163 |
| InChI Key: | DBADVSPKXDFFNO-UHFFFAOYSA-N |