N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
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)-3-phenylpropanamide
N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G755-0520 |
| Compound Name: | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Smiles: | CC1C=CC2=NC(CSc3nnc(NC(CCc4ccccc4)=O)s3)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6266 |
| logD: | 3.6207 |
| logSw: | -3.9714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.256 |
| InChI Key: | XNYVHGSAJPMWQO-UHFFFAOYSA-N |