6-(azepane-1-sulfonyl)-2-[(2-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-2-[(2-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(azepane-1-sulfonyl)-2-[(2-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0319 |
| Compound Name: | 6-(azepane-1-sulfonyl)-2-[(2-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | Cc1ccccc1CN1C(N2C=C(C=CC2=N1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4582 |
| logD: | 3.4581 |
| logSw: | -3.542 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.842 |
| InChI Key: | TWHKFGIGGRXNLT-UHFFFAOYSA-N |