N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G952-0639 |
| Compound Name: | N-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]adamantane-1-carboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C21 H23 N5 O S |
| Smiles: | Cc1cccc(c1)c1nnc2n1nc(NC(C13CC4CC(CC(C4)C3)C1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.3583 |
| logD: | 5.3475 |
| logSw: | -5.424 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.159 |
| InChI Key: | LYJBJKAUNLITFX-UHFFFAOYSA-N |