N-[3-(azepane-1-carbonyl)phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-[3-(azepane-1-carbonyl)phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0420 |
| Compound Name: | N-[3-(azepane-1-carbonyl)phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | Cc1cccc(c1)OCc1nnc(C(Nc2cccc(c2)C(N2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3956 |
| logD: | 4.3956 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.536 |
| InChI Key: | XMUJJRNDVVFVQV-UHFFFAOYSA-N |