3-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
3-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0109 |
| Compound Name: | 3-{8-[(diethylamino)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 554.04 |
| Molecular Formula: | C25 H35 N5 O7 |
| Salt: | HCl |
| Smiles: | CCN(CC)Cc1nc2c(C(N(CCCOC(c3cc(c(c(c3)OC)OC)OC)=O)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.2356 |
| logD: | 2.1481 |
| logSw: | -2.4579 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.162 |
| InChI Key: | JSUNPHWNQFCCRJ-UHFFFAOYSA-N |