9-(azepane-1-carbonyl)-5-(benzenesulfonyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
9-(azepane-1-carbonyl)-5-(benzenesulfonyl)-1,5-diazacycloundecan-2-one
9-(azepane-1-carbonyl)-5-(benzenesulfonyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S733-1536 |
| Compound Name: | 9-(azepane-1-carbonyl)-5-(benzenesulfonyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C22 H33 N3 O4 S |
| Smiles: | C1CCCN(CC1)C(C1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5682 |
| logD: | 1.5682 |
| logSw: | -2.4188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.283 |
| InChI Key: | GZKWNQMXEFHFJP-IBGZPJMESA-N |