ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4119 |
| Compound Name: | ethyl 4-(3,4-dimethoxyphenyl)-2-{2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 647.79 |
| Molecular Formula: | C32 H29 N3 O6 S3 |
| Smiles: | CCOC(c1c(csc1NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCc1s2)=O)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6719 |
| logD: | 5.6663 |
| logSw: | -5.4698 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.035 |
| InChI Key: | JNRMZMXWCARXDL-UHFFFAOYSA-N |