N-(5-{[(9-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-{[(9-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-{[(9-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: | G755-0293 |
| Compound Name: | N-(5-{[(9-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: | CC1=CC=CN2C1=NC(CSc1nnc(NC(COc3ccc(C)cc3)=O)s1)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.7061 |
| logD: | 3.7045 |
| logSw: | -3.8658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.257 |
| InChI Key: | YNUYLNKTKAIKDC-UHFFFAOYSA-N |