methyl 2-{2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-4,5-dimethoxybenzoate
methyl 2-{2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | 8016-2628 |
| Compound Name: | methyl 2-{2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}-4,5-dimethoxybenzoate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C23 H29 N5 O7 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9728 |
| logD: | 2.7662 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.151 |
| InChI Key: | YSHUVWXIEWPYDX-UHFFFAOYSA-N |