3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-[(3-chlorophenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-[(3-chlorophenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-[(3-chlorophenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V006-4481 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-[(3-chlorophenyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 430.87 |
| Molecular Formula: | C19 H15 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)[Cl])N1C(CSc2nnc(COc3ccc4c(c3)OCO4)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.855 |
| logD: | 2.855 |
| logSw: | -3.3305 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.777 |
| InChI Key: | KLHHFKFXTJXARY-UHFFFAOYSA-N |