{3-[(2,5-dichlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(3,5-difluorophenyl)methanone
Chemical Structure Depiction of
{3-[(2,5-dichlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(3,5-difluorophenyl)methanone
{3-[(2,5-dichlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(3,5-difluorophenyl)methanone
Compound characteristics
| Compound ID: | V003-2294 |
| Compound Name: | {3-[(2,5-dichlorophenoxy)methyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl}(3,5-difluorophenyl)methanone |
| Molecular Weight: | 457.28 |
| Molecular Formula: | C18 H12 Cl2 F2 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CSc2nnc(COc3cc(ccc3[Cl])[Cl])n2N1C(c1cc(cc(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.211 |
| logD: | 4.211 |
| logSw: | -4.4207 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.552 |
| InChI Key: | PGIYMLFTIILTJN-UHFFFAOYSA-N |