2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
Compound characteristics
| Compound ID: | 5867-2606 |
| Compound Name: | 2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C24 H23 N5 O2 S3 |
| Smiles: | CC1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCC(Nc1nc(c2ccccc2)sn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5472 |
| logD: | 5.5472 |
| logSw: | -5.5421 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.674 |
| InChI Key: | OTYWNHOJVZCLIU-CQSZACIVSA-N |