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 |