dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 4112-4286 |
| Compound Name: | dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C20 H19 N3 O5 S3 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSc2c3c4CCCc4sc3ncn2)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7757 |
| logD: | 1.8758 |
| logSw: | -4.3214 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.591 |
| InChI Key: | MWBMKPWLAMTCGE-UHFFFAOYSA-N |