3-(4-butoxyphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
3-(4-butoxyphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(4-butoxyphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | K243-0228 |
| Compound Name: | 3-(4-butoxyphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CCCCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3526 |
| logD: | 5.3516 |
| logSw: | -5.2527 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.757 |
| InChI Key: | KHECULANCBHXCH-UHFFFAOYSA-N |