methyl 2-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 3448-3290 |
| Compound Name: | methyl 2-{2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C19 H21 N5 O5 S |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccccc1C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4217 |
| logD: | 2.4087 |
| logSw: | -3.0376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.636 |
| InChI Key: | XZPSMUGHMYVBIW-UHFFFAOYSA-N |