1,1'-(6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl)di(butan-1-one)
Chemical Structure Depiction of
1,1'-(6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl)di(butan-1-one)
1,1'-(6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl)di(butan-1-one)
Compound characteristics
| Compound ID: | G857-1307 |
| Compound Name: | 1,1'-(6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl)di(butan-1-one) |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCCC(C1=C(c2ccccc2)N(C(CCC)=O)n2cnnc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4624 |
| logD: | 3.4624 |
| logSw: | -3.7044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.238 |
| InChI Key: | UHQHGCNKQVUNEQ-UHFFFAOYSA-N |