N-(3-fluoro-4-methylphenyl)-N'-(5-{[(8-methyl-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-fluoro-4-methylphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3-fluoro-4-methylphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0454 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C20 H17 F N6 O2 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(Nc3ccc(C)c(c3)F)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.4336 |
| logD: | 4.432 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.162 |
| InChI Key: | JFCYWHYNRRJMQL-UHFFFAOYSA-N |