N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}adamantane-1-carboxamide
N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 3086-0037 |
| Compound Name: | N-{5-[(2,3-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}adamantane-1-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | Cc1cccc(c1C)OCc1nnc(NC(C23CC4CC(CC(C4)C3)C2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1119 |
| logD: | 5.4762 |
| logSw: | -5.5232 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.717 |
| InChI Key: | NEJLLJGHQOCHBV-UHFFFAOYSA-N |