3-{7-[3-(dimethylamino)propyl]-3-methyl-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-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
3-{7-[3-(dimethylamino)propyl]-3-methyl-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: | D090-0143 |
| Compound Name: | 3-{7-[3-(dimethylamino)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 540.02 |
| Molecular Formula: | C24 H33 N5 O7 |
| Salt: | HCl |
| Smiles: | CN(C)CCCn1cnc2c1C(N(CCCOC(c1cc(c(c(c1)OC)OC)OC)=O)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.168 |
| logD: | -0.9679 |
| logSw: | -1.8452 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.043 |
| InChI Key: | XPTMLGWHWQHKBA-UHFFFAOYSA-N |