3-(azepane-1-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
3-(azepane-1-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one
Compound characteristics
| Compound ID: | P516-0422 |
| Compound Name: | 3-(azepane-1-carbonyl)-7-fluoro[1,2,3]triazolo[1,5-a]quinoxalin-4(5H)-one |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C16 H16 F N5 O2 |
| Smiles: | C1CCCN(CC1)C(c1c2C(Nc3cc(ccc3n2nn1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9238 |
| logD: | 1.626 |
| logSw: | -2.6582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.237 |
| InChI Key: | PCMVXKQHCVSKCW-UHFFFAOYSA-N |