ethyl 2-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1546 |
| Compound Name: | ethyl 2-{[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C24 H23 N3 O4 S2 |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSC1=Nc3c(C(N1C)=O)c1CCCCc1s3)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8949 |
| logD: | 4.7764 |
| logSw: | -4.6973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.18 |
| InChI Key: | JDQYFQGQICIDEY-UHFFFAOYSA-N |