2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Chemical Structure Depiction of
2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 6850-0229 |
| Compound Name: | 2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C22 H21 N5 O2 S3 |
| Smiles: | Cc1ccc(cc1)c1nc(NC(CSC2=Nc3c(C(N2CC=C)=O)c(C)c(C)s3)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 5.1841 |
| logD: | 5.1841 |
| logSw: | -5.0971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.754 |
| InChI Key: | KAWRFJVSUHGRIG-UHFFFAOYSA-N |