1-{4-[1-(2,1,3-benzothiadiazole-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-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0782 |
| Compound Name: | 1-{4-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8561 |
| logD: | 1.8561 |
| logSw: | -2.2188 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.082 |
| InChI Key: | QSCIQDASVVJHPW-UHFFFAOYSA-N |