N-butyl-N-ethyl-2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-N-ethyl-2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-butyl-N-ethyl-2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-3610 |
| Compound Name: | N-butyl-N-ethyl-2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 542.72 |
| Molecular Formula: | C26 H27 F N4 O2 S3 |
| Smiles: | CCCCN(CC)C(CSC1=NC2=C(C(N1c1ccccc1F)=O)SC(N2c1ccccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5275 |
| logD: | 5.5275 |
| logSw: | -5.317 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.283 |
| InChI Key: | QWEPBCTYZUYDDX-UHFFFAOYSA-N |