2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0146 |
| Compound Name: | 2-[1,3-dimethyl-8-(4-methylpiperazin-1-yl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 553.01 |
| Molecular Formula: | C24 H32 N6 O7 |
| Salt: | HCl |
| Smiles: | CN1CCN(CC1)c1nc2c(C(N(C)C(N2C)=O)=O)n1CCOC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1847 |
| logD: | 0.5795 |
| logSw: | -2.5019 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.178 |
| InChI Key: | QRMDCHXLHNULLP-UHFFFAOYSA-N |