5-(2-methylbenzene-1-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(2-methylbenzene-1-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
5-(2-methylbenzene-1-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-0255 |
| Compound Name: | 5-(2-methylbenzene-1-sulfonyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C26 H35 N5 O4 S |
| Smiles: | Cc1ccccc1S(N1CCCC(CCNC(CC1)=O)C(N1CCN(CC1)c1ccccn1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6868 |
| logD: | 1.6779 |
| logSw: | -2.3887 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.724 |
| InChI Key: | YAAWCRANGJDERP-QFIPXVFZSA-N |