2-{[5-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | 5867-2725 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-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: | 552.09 |
| Molecular Formula: | C25 H18 Cl N5 O2 S3 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c(cs2)c1ccc(cc1)[Cl])SCC(Nc1nc(c2ccccc2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3073 |
| logD: | 6.3072 |
| logSw: | -6.3265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.389 |
| InChI Key: | RZOIAHFCDLAYRR-UHFFFAOYSA-N |