N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
Chemical Structure Depiction of
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
Compound characteristics
| Compound ID: | F880-0478 |
| Compound Name: | N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide |
| Molecular Weight: | 499.51 |
| Molecular Formula: | C25 H20 F3 N3 O3 S |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NC(COc3cccc(c3)C(F)(F)F)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2245 |
| logD: | 4.2244 |
| logSw: | -4.4027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.152 |
| InChI Key: | JZAIHCPCRRJYQJ-UHFFFAOYSA-N |