N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
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-phenoxyacetamide
N-(5-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | G755-0686 |
| 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-phenoxyacetamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C19 H14 Cl N5 O3 S2 |
| Smiles: | C(C(Nc1nnc(SCC2=CC(N3C=C(C=CC3=N2)[Cl])=O)s1)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0851 |
| logD: | 3.0835 |
| logSw: | -3.556 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.755 |
| InChI Key: | VPLIPYHLPBRZQH-UHFFFAOYSA-N |