methyl 2,4-dimethyl-5-{[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2,4-dimethyl-5-{[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
methyl 2,4-dimethyl-5-{[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4112-3902 |
| Compound Name: | methyl 2,4-dimethyl-5-{[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C27 H27 N3 O4 S2 |
| Smiles: | CC1CCc2c3C(N(C(=Nc3sc2C1)SCC(c1c(C)c(C(=O)OC)c(C)[nH]1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1784 |
| logD: | 5.1784 |
| logSw: | -5.1596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.385 |
| InChI Key: | ZMEYCRBNVMOWHG-CQSZACIVSA-N |