N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
Compound ID: | D137-0639 |
Compound Name: | N-(2-chlorophenyl)-6-(4-fluorophenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
Molecular Weight: | 495.96 |
Molecular Formula: | C24 H19 Cl F N5 O2 S |
Smiles: | C(c1nnc2n1NC(C(C(Nc1ccccc1[Cl])=O)S2)c1ccc(cc1)F)Oc1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.4055 |
logD: | 4.4037 |
logSw: | -4.5941 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.561 |
InChI Key: | SJDCVWQFEAKBQJ-UHFFFAOYSA-N |