N-(3-chloro-2-methylphenyl)-3-ethyl-6-(4-ethylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-3-ethyl-6-(4-ethylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(3-chloro-2-methylphenyl)-3-ethyl-6-(4-ethylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | D137-0271 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-3-ethyl-6-(4-ethylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C22 H24 Cl N5 O S |
| Smiles: | CCc1ccc(cc1)C1C(C(Nc2cccc(c2C)[Cl])=O)Sc2nnc(CC)n2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2678 |
| logD: | 5.2648 |
| logSw: | -5.928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.333 |
| InChI Key: | PNTXWNUXXXUDNC-UHFFFAOYSA-N |