N,N-diethyl-6-(4-fluorophenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N,N-diethyl-6-(4-fluorophenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N,N-diethyl-6-(4-fluorophenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
Compound ID: | 7238-1676 |
Compound Name: | N,N-diethyl-6-(4-fluorophenyl)-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
Molecular Weight: | 411.5 |
Molecular Formula: | C21 H22 F N5 O S |
Smiles: | CCN(CC)C(C1C(c2ccc(cc2)F)Nn2c(c3ccccc3)nnc2S1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7489 |
logD: | 3.7489 |
logSw: | -3.8979 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.624 |
InChI Key: | DYGDDENNQTUENS-UHFFFAOYSA-N |