2-[3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-[3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
2-[3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D090-0114 |
| Compound Name: | 2-[3,7-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 553.01 |
| Molecular Formula: | C24 H32 N6 O7 |
| Salt: | HCl |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(CCOC(c3cc(c(c(c3)OC)OC)OC)=O)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.5933 |
| logD: | -0.0119 |
| logSw: | -1.9047 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.223 |
| InChI Key: | NSNDPHOSXSXXCC-UHFFFAOYSA-N |