(azepan-1-yl)[6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
(azepan-1-yl)[6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Compound characteristics
| Compound ID: | 7238-1294 |
| Compound Name: | (azepan-1-yl)[6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C20 H27 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(C(N2CCCCCC2)=O)Sc2nnc(C)n2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8131 |
| logD: | 2.8131 |
| logSw: | -3.1139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.843 |
| InChI Key: | IJCUGNBVKCFMJU-UHFFFAOYSA-N |