ethyl [(6-{2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(6-{2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetate
ethyl [(6-{2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3613-0030 |
| Compound Name: | ethyl [(6-{2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}-1,3-benzothiazol-2-yl)sulfanyl]acetate |
| Molecular Weight: | 560.73 |
| Molecular Formula: | C24 H24 N4 O4 S4 |
| Smiles: | CCOC(CSc1nc2ccc(cc2s1)NC(CSC1=Nc2c(C(N1C)=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9751 |
| logD: | 4.9751 |
| logSw: | -4.7346 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.021 |
| InChI Key: | JMVGSOKETWGKDV-UHFFFAOYSA-N |