2-{8-[(diethylamino)methyl]-1,3-dimethyl-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-{8-[(diethylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
2-{8-[(diethylamino)methyl]-1,3-dimethyl-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: | D090-0145 |
| Compound Name: | 2-{8-[(diethylamino)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 540.02 |
| Molecular Formula: | C24 H33 N5 O7 |
| Salt: | HCl |
| Smiles: | CCN(CC)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CCOC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4639 |
| logD: | 2.3778 |
| logSw: | -2.5837 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.117 |
| InChI Key: | SUDLLIWVLPUIIB-UHFFFAOYSA-N |