2-ethyl-N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-ethyl-N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide--hydrogen chloride (1/1)
2-ethyl-N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E157-4490 |
| Compound Name: | 2-ethyl-N-[3-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Salt: | HCl |
| Smiles: | CCC(CC)C(Nc1nn2c(c3cccc(c3)OC)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4303 |
| logD: | 3.4264 |
| logSw: | -3.7051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.941 |
| InChI Key: | OEAQDVHUUNJUEK-UHFFFAOYSA-N |