2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
Compound characteristics
| Compound ID: | 5867-2485 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C24 H23 N5 O2 S3 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCCc1s2)SCC(Nc1nc(c2ccccc2)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6814 |
| logD: | 5.6813 |
| logSw: | -5.7477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.912 |
| InChI Key: | PLUZOHIYVNOZAD-UHFFFAOYSA-N |