N-(5-{[(9-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-{[(9-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-{[(9-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: | G755-0364 |
| Compound Name: | N-(5-{[(9-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: | CC1=CC=CN2C1=NC(CSc1nnc(NC(Nc3cccc(c3)SC)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.2966 |
| logD: | 4.2965 |
| logSw: | -4.3395 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.183 |
| InChI Key: | CANDWKSDDWMVDS-UHFFFAOYSA-N |