N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | G755-0252 |
| Compound Name: | N-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C19 H13 F3 N6 O2 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)Sc1nnc(NC(Nc2ccccc2C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.988 |
| logD: | 3.9874 |
| logSw: | -4.4424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.465 |
| InChI Key: | VJPBOMZYMNLTLO-UHFFFAOYSA-N |