2-{8-[(diethylamino)methyl]-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-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
2-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D090-0144 |
| Compound Name: | 2-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 626.67 |
| Molecular Formula: | C24 H33 N5 O7 |
| Salt: | m-C5H4NCOOH |
| Smiles: | CCN(CC)Cc1nc2c(C(N(CCOC(c3cc(c(c(c3)OC)OC)OC)=O)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.8726 |
| logD: | 1.7851 |
| logSw: | -2.3212 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.162 |
| InChI Key: | FMUQMLMBOWBVII-UHFFFAOYSA-N |