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-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 6850-0116 |
| 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-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C25 H25 N5 O2 S3 |
| Smiles: | CC1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCC(Nc1nc(c2ccccc2C)sn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8902 |
| logD: | 5.8902 |
| logSw: | -5.5134 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.674 |
| InChI Key: | OAMJOPRPONIXKH-CQSZACIVSA-N |