N-(3-chloro-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-chloro-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-chloro-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: | G755-0435 |
| Compound Name: | N-(3-chloro-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: | 472.97 |
| Molecular Formula: | C20 H17 Cl N6 O2 S2 |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1nnc(NC(Nc3ccc(C)c(c3)[Cl])=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 5.174 |
| logD: | 5.1724 |
| logSw: | -5.6048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.162 |
| InChI Key: | FRLSQVCECUJDAT-UHFFFAOYSA-N |