2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L387-5203 |
| Compound Name: | 2-{[7-oxo-6-(propan-2-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C21 H22 F3 N5 O2 S2 |
| Smiles: | CC(C)N1C(=Nc2c(C1=O)sc(n2)N1CCCC1)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2592 |
| logD: | 5.2589 |
| logSw: | -5.1779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.127 |
| InChI Key: | NLCKWQONCLUJAT-UHFFFAOYSA-N |