2-(diethylamino)ethyl 4-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
2-(diethylamino)ethyl 4-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E715-0111 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C29 H39 N7 O3 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0151 |
| logD: | 3.0467 |
| logSw: | -3.9684 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.079 |
| InChI Key: | OMZPWSNQXVGRBL-QFIPXVFZSA-N |