2,2'-{1,4-diazepane-1,4-diylbis[sulfonyl(4-chloro-2,1-phenylene)oxy]}bis[1-(morpholin-4-yl)ethan-1-one]
Chemical Structure Depiction of
2,2'-{1,4-diazepane-1,4-diylbis[sulfonyl(4-chloro-2,1-phenylene)oxy]}bis[1-(morpholin-4-yl)ethan-1-one]
2,2'-{1,4-diazepane-1,4-diylbis[sulfonyl(4-chloro-2,1-phenylene)oxy]}bis[1-(morpholin-4-yl)ethan-1-one]
Compound characteristics
| Compound ID: | 8018-3475 |
| Compound Name: | 2,2'-{1,4-diazepane-1,4-diylbis[sulfonyl(4-chloro-2,1-phenylene)oxy]}bis[1-(morpholin-4-yl)ethan-1-one] |
| Molecular Weight: | 735.66 |
| Molecular Formula: | C29 H36 Cl2 N4 O10 S2 |
| Smiles: | C1CN(CCN(C1)S(c1cc(ccc1OCC(N1CCOCC1)=O)[Cl])(=O)=O)S(c1cc(ccc1OCC(N1CCOCC1)=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6432 |
| logD: | 0.6432 |
| logSw: | -2.5442 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 127.03 |
| InChI Key: | XDMIAJCIGRHIPV-UHFFFAOYSA-N |