N-(5-chloro-2-methylphenyl)-3-ethyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-3-ethyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(5-chloro-2-methylphenyl)-3-ethyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | D137-0244 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-3-ethyl-6-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C21 H22 Cl N5 O S |
| Smiles: | CCc1nnc2n1NC(C(C(Nc1cc(ccc1C)[Cl])=O)S2)c1ccc(C)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4103 |
| logD: | 4.4073 |
| logSw: | -4.7537 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.333 |
| InChI Key: | KGSWRQCWTXMHLY-UHFFFAOYSA-N |