methyl (9Z)-9-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6a-methyl-10-oxo-6,6a,9,10-tetrahydro-11aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl (9Z)-9-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6a-methyl-10-oxo-6,6a,9,10-tetrahydro-11aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (9Z)-9-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6a-methyl-10-oxo-6,6a,9,10-tetrahydro-11aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 6049-1691 |
| Compound Name: | methyl (9Z)-9-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6a-methyl-10-oxo-6,6a,9,10-tetrahydro-11aH-[1]benzofuro[2,3-e]cyclopropa[d][1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 518.97 |
| Molecular Formula: | C27 H19 Cl N2 O5 S |
| Smiles: | CC12C(C(=O)OC)C13C(c1ccccc1O3)N1C(=N2)SC(=C/c2ccc(c3cccc(c3)[Cl])o2)\C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1158 |
| logD: | 6.1158 |
| logSw: | -6.0744 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.791 |
| InChI Key: | WQZCEPIOPJANHK-UHFFFAOYSA-N |