2-[3,7-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-[3,7-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
2-[3,7-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8012-1259 |
| Compound Name: | 2-[3,7-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 538.99 |
| Molecular Formula: | C23 H30 N6 O7 |
| Salt: | HCl |
| Smiles: | CN1C(N(CCOC(c2cc(c(c(c2)OC)OC)OC)=O)C(c2c1nc(N1CCNCC1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0678 |
| logD: | -1.402 |
| logSw: | -1.906 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.707 |
| InChI Key: | ZITIHIBGJFOYFO-UHFFFAOYSA-N |