6-(azepane-1-sulfonyl)-2-[(3,4-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-2-[(3,4-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(azepane-1-sulfonyl)-2-[(3,4-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0325 |
| Compound Name: | 6-(azepane-1-sulfonyl)-2-[(3,4-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | Cc1ccc(CN2C(N3C=C(C=CC3=N2)S(N2CCCCCC2)(=O)=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 3.6888 |
| logD: | 3.6887 |
| logSw: | -3.7382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.842 |
| InChI Key: | BQEMSBBTQNGKNP-UHFFFAOYSA-N |