N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | G566-0478 |
| Compound Name: | N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 467.45 |
| Molecular Formula: | C18 H12 F3 N5 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(c4ccccc4C(F)(F)F)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9325 |
| logD: | 0.7643 |
| logSw: | -3.687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.428 |
| InChI Key: | KNOYZIPNKHLBII-UHFFFAOYSA-N |