N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2-fluorophenyl)urea
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2-fluorophenyl)urea
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2-fluorophenyl)urea
Compound characteristics
| Compound ID: | G755-0735 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2-fluorophenyl)urea |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C18 H12 Cl F N6 O2 S2 |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1nnc(NC(Nc2ccccc2F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4476 |
| logD: | 3.4462 |
| logSw: | -4.0193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.983 |
| InChI Key: | VRKIEKAFDMAPIY-UHFFFAOYSA-N |