N-(4-ethylphenyl)-N'-(5-{[(9-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-(4-ethylphenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(4-ethylphenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0333 |
| Compound Name: | N-(4-ethylphenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C21 H20 N6 O2 S2 |
| Smiles: | CCc1ccc(cc1)NC(Nc1nnc(SCC2=CC(N3C=CC=C(C)C3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7663 |
| logD: | 4.7661 |
| logSw: | -4.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.183 |
| InChI Key: | IEUKCRRKSPPPBR-UHFFFAOYSA-N |