2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | V009-5085 |
| Compound Name: | 2-{6-[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 606.45 |
| Molecular Formula: | C27 H20 Cl2 F3 N5 O2 S |
| Smiles: | CC1=C(C(N2C(CC(NCc3cccc(c3)C(F)(F)F)=O)=CSC2=N1)=O)c1cc(C)n(c2ccc(c(c2)[Cl])[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4717 |
| logD: | 5.4717 |
| logSw: | -6.0648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.124 |
| InChI Key: | XQDVSYKZIAVLBL-UHFFFAOYSA-N |