N-{1-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]pyrrolidin-3-yl}but-2-ynamide
Chemical Structure Depiction of
N-{1-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]pyrrolidin-3-yl}but-2-ynamide
N-{1-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]pyrrolidin-3-yl}but-2-ynamide
Compound characteristics
| Compound ID: | T002-1924 |
| Compound Name: | N-{1-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]pyrrolidin-3-yl}but-2-ynamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C20 H23 N5 O4 S2 |
| Smiles: | CC#CC(NC1CCN(C1)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7262 |
| logD: | 1.7262 |
| logSw: | -2.4231 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.854 |
| InChI Key: | KVGASZSDTMQLJW-OAHLLOKOSA-N |