(azepan-1-yl)[6-(3-bromo-4-methoxyphenyl)-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-(3-bromo-4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
(azepan-1-yl)[6-(3-bromo-4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Compound characteristics
| Compound ID: | 7238-1422 |
| Compound Name: | (azepan-1-yl)[6-(3-bromo-4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone |
| Molecular Weight: | 466.4 |
| Molecular Formula: | C19 H24 Br N5 O2 S |
| Smiles: | Cc1nnc2n1NC(C(C(N1CCCCCC1)=O)S2)c1ccc(c(c1)[Br])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8327 |
| logD: | 2.8327 |
| logSw: | -3.2907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.35 |
| InChI Key: | RVBAZMWWMWXSOQ-UHFFFAOYSA-N |