2-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
2-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D090-0118 |
| Compound Name: | 2-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}ethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 525.99 |
| Molecular Formula: | C23 H31 N5 O7 |
| Salt: | HCl |
| Smiles: | CN(C)CCCn1cnc2c1C(N(CCOC(c1cc(c(c(c1)OC)OC)OC)=O)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8049 |
| logD: | -1.3309 |
| logSw: | -1.4613 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.043 |
| InChI Key: | BKGHLUSVAUNUKW-UHFFFAOYSA-N |