N-(2,3-dimethylphenyl)-N'-(5-{[(7-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-(2,3-dimethylphenyl)-N'-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(2,3-dimethylphenyl)-N'-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G755-0534 |
| Compound Name: | N-(2,3-dimethylphenyl)-N'-(5-{[(7-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: | CC1C=CC2=NC(CSc3nnc(NC(Nc4cccc(C)c4C)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4692 |
| logD: | 4.4691 |
| logSw: | -4.3132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.983 |
| InChI Key: | LXDDVLXCLMFJMU-UHFFFAOYSA-N |