ethyl 2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
ethyl 2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4208 |
| Compound Name: | ethyl 2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 601.77 |
| Molecular Formula: | C31 H27 N3 O4 S3 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8886 |
| logD: | 6.883 |
| logSw: | -5.6915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.408 |
| InChI Key: | WAWAYCQMLFXEIU-UHFFFAOYSA-N |