2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate
2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | D090-0121 |
| Compound Name: | 2-[1,3-dimethyl-2,6-dioxo-8-(piperazin-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 538.99 |
| Molecular Formula: | C23 H30 N6 O7 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(nc(N3CCNCC3)n2CCOC(c2cc(c(c(c2)OC)OC)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6592 |
| logD: | -0.8106 |
| logSw: | -2.2317 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.662 |
| InChI Key: | FJJDFWFMTJCZBG-UHFFFAOYSA-N |