2-{[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
2-{[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | K286-0479 |
| Compound Name: | 2-{[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C25 H25 F N4 O3 S3 |
| Smiles: | CCN(CC)C(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccccc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4027 |
| logD: | 4.4027 |
| logSw: | -4.2443 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 49.54 |
| InChI Key: | URMDIHHBRJHEJH-UHFFFAOYSA-N |