ethyl 6-methyl-2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-0941 |
| Compound Name: | ethyl 6-methyl-2-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 593.79 |
| Molecular Formula: | C30 H31 N3 O4 S3 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4266 |
| logD: | 4.6863 |
| logSw: | -5.6647 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.6 |
| InChI Key: | YUORUQAMXGSGLP-QGZVFWFLSA-N |