N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G952-0663 |
| Compound Name: | N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide |
| Molecular Weight: | 413.93 |
| Molecular Formula: | C20 H20 Cl N5 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(Nc1nn2c(c3cccc(c3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6501 |
| logD: | 5.6392 |
| logSw: | -6.0237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.159 |
| InChI Key: | YGLOKLUJPVCLKS-UHFFFAOYSA-N |