2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Chemical Structure Depiction of
2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione
Compound characteristics
| Compound ID: | 8012-5277 |
| Compound Name: | 2-{[1-acetyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-1,5(2H)-dione |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C24 H17 F N4 O3 S2 |
| Smiles: | CC(n1cc(/C=C2/C(N3C(=NC(c4c5CCCCc5sc34)=O)S2)=O)c(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.445 |
| logD: | 3.445 |
| logSw: | -3.8845 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.494 |
| InChI Key: | QEUSHMLSQZDEGV-UHFFFAOYSA-N |