2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Compound characteristics
| Compound ID: | 5867-2965 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C26 H21 N5 O3 S3 |
| Smiles: | COc1ccc(cc1)c1csc2c1C(N(CC=C)C(=N2)SCC(Nc1nc(c2ccccc2)ns1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6949 |
| logD: | 5.6948 |
| logSw: | -5.6009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.933 |
| InChI Key: | XMSVVFWGZXGHLJ-UHFFFAOYSA-N |