ethyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5067-0850 |
| Compound Name: | ethyl 2-{2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 475.65 |
| Molecular Formula: | C22 H25 N3 O3 S3 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1c2c(C)c(C)sc2ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5582 |
| logD: | 3.4816 |
| logSw: | -5.5292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.962 |
| InChI Key: | AZUVJRIJCGHPFL-UHFFFAOYSA-N |