5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S790-0277 |
Compound Name: | 5-[1-(2,1,3-benzothiadiazole-4-sulfonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one |
Molecular Weight: | 479.62 |
Molecular Formula: | C21 H29 N5 O4 S2 |
Smiles: | C1CCCN(CCC(NCC1)=O)C(C1CCN(CC1)S(c1cccc2c1nsn2)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5417 |
logD: | 1.5417 |
logSw: | -2.2906 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.905 |
InChI Key: | LHPZERUFFXVQDC-UHFFFAOYSA-N |