N-(2-chlorophenyl)-6-(4-ethoxyphenyl)-3-ethyl-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-ethoxyphenyl)-3-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(2-chlorophenyl)-6-(4-ethoxyphenyl)-3-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | D137-0317 |
| Compound Name: | N-(2-chlorophenyl)-6-(4-ethoxyphenyl)-3-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | CCc1nnc2n1NC(C(C(Nc1ccccc1[Cl])=O)S2)c1ccc(cc1)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9495 |
| logD: | 3.9478 |
| logSw: | -4.2149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.456 |
| InChI Key: | IFUMCMABTKXRQM-UHFFFAOYSA-N |