dimethyl 3-methyl-5-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3993-2034 |
| Compound Name: | dimethyl 3-methyl-5-{2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C21 H21 N3 O5 S3 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CSc2c3c4CCCc4sc3nc(C)n2)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1768 |
| logD: | 2.2769 |
| logSw: | -4.4589 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.965 |
| InChI Key: | LVLOKWGOBIAEOQ-UHFFFAOYSA-N |