N-[4-(azepane-1-sulfonyl)phenyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
N-[4-(azepane-1-sulfonyl)phenyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D278-0711 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-2-[([1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C24 H25 N5 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(CSc1nnc2ccc3ccccc3n12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.049 |
| logD: | 4.0486 |
| logSw: | -4.2301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.273 |
| InChI Key: | IYKKVZCEHULIJA-UHFFFAOYSA-N |