N-[3-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-[3-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F912-0658 |
Compound Name: | N-[3-(azepane-1-carbonyl)phenyl]-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 464.59 |
Molecular Formula: | C25 H28 N4 O3 S |
Smiles: | Cc1cc(C)cc(c1)OCc1nnc(C(Nc2cccc(c2)C(N2CCCCCC2)=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.7874 |
logD: | 4.7873 |
logSw: | -4.5265 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.536 |
InChI Key: | IFJYNMDPGSJRAA-UHFFFAOYSA-N |