2-{[5-(3-chloro-4-fluorophenyl)furan-2-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-{[5-(3-chloro-4-fluorophenyl)furan-2-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-{[5-(3-chloro-4-fluorophenyl)furan-2-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: | 8012-9058 |
| Compound Name: | 2-{[5-(3-chloro-4-fluorophenyl)furan-2-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: | 484.95 |
| Molecular Formula: | C23 H14 Cl F N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N=C3N(C(/C(=C/c4ccc(c5ccc(c(c5)[Cl])F)o4)S3)=O)c1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6334 |
| logD: | 5.6334 |
| logSw: | -6.3598 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.496 |
| InChI Key: | XDAFAMJALZLNBP-UHFFFAOYSA-N |