ethyl 4-{5-[(cyanomethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(cyanomethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{5-[(cyanomethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3223 |
| Compound Name: | ethyl 4-{5-[(cyanomethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C22 H15 F N4 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(C(N(C(=N2)SCC#N)c2ccc(cc2)F)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1266 |
| logD: | 4.1266 |
| logSw: | -4.105 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 65.472 |
| InChI Key: | XHOJJTQOJWLBKO-UHFFFAOYSA-N |