N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2,5-dimethylphenyl)urea
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2,5-dimethylphenyl)urea
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2,5-dimethylphenyl)urea
Compound characteristics
| Compound ID: | G755-0721 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-(2,5-dimethylphenyl)urea |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C20 H17 Cl N6 O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)NC(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7087 |
| logD: | 3.7086 |
| logSw: | -4.2397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.983 |
| InChI Key: | YUFCYUXKCJHBJB-UHFFFAOYSA-N |