N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | G755-0564 |
| Compound Name: | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C20 H18 N6 O2 S3 |
| Smiles: | CC1C=CC2=NC(CSc3nnc(NC(Nc4cccc(c4)SC)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2987 |
| logD: | 4.2986 |
| logSw: | -4.3507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.681 |
| InChI Key: | HLJJEZDIXSECHB-UHFFFAOYSA-N |