N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
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)-N'-[3-(trifluoromethyl)phenyl]urea
N-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | G566-1021 |
| 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)-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 482.46 |
| Molecular Formula: | C18 H13 F3 N6 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(Nc4cccc(c4)C(F)(F)F)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0904 |
| logD: | 4.0904 |
| logSw: | -4.245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.639 |
| InChI Key: | XUNTXYRNIGPIEI-UHFFFAOYSA-N |