N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G952-0643 |
| Compound Name: | N-[3-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1nc(NC(C13CC4CC(CC(C4)C3)C1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6115 |
| logD: | 4.6006 |
| logSw: | -4.4763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.419 |
| InChI Key: | AAFYJLHBVWIAJI-UHFFFAOYSA-N |