N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | G755-0687 |
| Compound Name: | N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-(2-methylphenoxy)acetamide |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C20 H16 Cl N5 O3 S2 |
| Smiles: | Cc1ccccc1OCC(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5884 |
| logD: | 3.5867 |
| logSw: | -3.9769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.842 |
| InChI Key: | ZCSJYZLBUIZQQR-UHFFFAOYSA-N |