methyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4135 |
| Compound Name: | methyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C20 H21 N3 O3 S3 |
| Smiles: | Cc1c2c(ncnc2sc1C)SCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 2.6033 |
| logSw: | -4.6838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.051 |
| InChI Key: | QVOMIPFILQZNPZ-UHFFFAOYSA-N |