ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y032-2010 |
| Compound Name: | ethyl 2-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H23 N5 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0983 |
| logD: | -0.1825 |
| logSw: | -2.5765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.578 |
| InChI Key: | HRLQHVXMCTVHFJ-UHFFFAOYSA-N |