N-(3,4-dimethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3,4-dimethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0240 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C20 H18 N6 O4 S2 |
| Smiles: | COc1ccc(cc1OC)NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0064 |
| logD: | 3.0063 |
| logSw: | -3.5141 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.423 |
| InChI Key: | IFHAFUPRYFQNSB-UHFFFAOYSA-N |