ethyl 2-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4052-3209 |
| Compound Name: | ethyl 2-{2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 473.63 |
| Molecular Formula: | C22 H23 N3 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1c2c3CCCc3sc2ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1096 |
| logD: | 3.033 |
| logSw: | -5.0315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.918 |
| InChI Key: | IFAKJQLTSDSPLF-UHFFFAOYSA-N |