ethyl 1-{[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetyl}piperidine-3-carboxylate
ethyl 1-{[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | F369-0258 |
| Compound Name: | ethyl 1-{[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 542.07 |
| Molecular Formula: | C26 H24 Cl N3 O4 S2 |
| Smiles: | CCOC(C1CCCN(C1)C(CN1C2=C(c3cccc(c3)[Cl])SC(N2c2ccccc2C1=O)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5243 |
| logD: | 4.5243 |
| logSw: | -4.6265 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 54.868 |
| InChI Key: | BYVQMVZVOVATIX-KRWDZBQOSA-N |