2-{8-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-{8-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
2-{8-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D090-0113 |
| Compound Name: | 2-{8-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 613.07 |
| Molecular Formula: | C26 H36 N6 O9 |
| Salt: | HCl |
| Smiles: | CN1C(N(CCOC(c2cc(c(c(c2)OC)OC)OC)=O)C(c2c1nc(N1CCN(CC1)CC(CO)O)n2C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4296 |
| logD: | -0.4755 |
| logSw: | -1.2887 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.293 |
| InChI Key: | KVEVZJBAASMJFF-KRWDZBQOSA-N |