2-ethyl-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
2-ethyl-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
2-ethyl-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | G755-0486 |
| Compound Name: | 2-ethyl-N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C18 H21 N5 O2 S2 |
| Smiles: | CCC(CC)C(Nc1nnc(SCC2=CC(N3C=C(C)C=CC3=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4174 |
| logD: | 3.411 |
| logSw: | -3.4756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.741 |
| InChI Key: | KSQMILHZRWCHLO-UHFFFAOYSA-N |