2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Compound characteristics
| Compound ID: | K286-0314 |
| Compound Name: | 2-{[6-(3,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide |
| Molecular Weight: | 605.76 |
| Molecular Formula: | C29 H27 N5 O4 S3 |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1=NC2=C(C(N1c1ccc(c(c1)OC)OC)=O)SC(N2c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5337 |
| logD: | 4.5252 |
| logSw: | -4.3514 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.169 |
| InChI Key: | KUXJCNJWRUZAHY-UHFFFAOYSA-N |