2-{7-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-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-[2-(diethylamino)ethyl]-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: | D090-0115 |
| Compound Name: | 2-{7-[2-(diethylamino)ethyl]-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: | 540.02 |
| Molecular Formula: | C24 H33 N5 O7 |
| Salt: | HCl |
| Smiles: | CCN(CC)CCn1cnc2c1C(N(CCOC(c1cc(c(c(c1)OC)OC)OC)=O)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5507 |
| logD: | 0.8494 |
| logSw: | -1.8179 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.588 |
| InChI Key: | ZLKYOSBAIHGQGN-UHFFFAOYSA-N |