N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-N'-(5-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(3,5-dimethylphenyl)-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: | G755-0339 |
| Compound Name: | N-(3,5-dimethylphenyl)-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: | CC1=CC=CN2C1=NC(CSc1nnc(NC(Nc3cc(C)cc(C)c3)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.5286 |
| logD: | 4.5286 |
| logSw: | -4.2992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.183 |
| InChI Key: | VUAVDEYXWUMLNC-UHFFFAOYSA-N |