1-{4-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0779 |
| Compound Name: | 1-{4-[1-(2,1,3-benzoxadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | CC#CC(N1CCCN(CC1)C(C1CCN(CC1)S(c1cccc2c1non2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8799 |
| logD: | 1.8799 |
| logSw: | -2.2245 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.219 |
| InChI Key: | DWBLMZGZLAQTQU-UHFFFAOYSA-N |