dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 4112-0704 |
| Compound Name: | dimethyl 5-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | COC(c1cc(cc(c1)NC(CSc1c2c3CCCc3sc2ncn1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5067 |
| logD: | 4.5066 |
| logSw: | -4.575 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.797 |
| InChI Key: | WRFSZAHYXIAHLI-UHFFFAOYSA-N |