N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | G755-0493 |
| Compound Name: | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C21 H19 N5 O3 S2 |
| Smiles: | CC1C=CC2=NC(CSc3nnc(NC(COc4ccc(C)cc4)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7082 |
| logD: | 3.7066 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.755 |
| InChI Key: | YAINJMVBNOIVLP-UHFFFAOYSA-N |