ethyl 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
Chemical Structure Depiction of
ethyl 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
ethyl 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | 2516-5013 |
| Compound Name: | ethyl 2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]propanoate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C18 H28 N4 O4 S |
| Smiles: | CCCCCCCn1c2C(NC(N(C)c2nc1SC(C)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5725 |
| logD: | 4.5724 |
| logSw: | -4.1403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | GXIWWWSSCSOFAD-LBPRGKRZSA-N |