4-[rel-(9aR,12aS)-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-sulfonyl]benzonitrile
Chemical Structure Depiction of
4-[rel-(9aR,12aS)-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-sulfonyl]benzonitrile
4-[rel-(9aR,12aS)-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | S795-0262 |
| Compound Name: | 4-[rel-(9aR,12aS)-9-oxodecahydro-2H-cyclopenta[f][1,4,8]oxadiazacycloundecine-1(6H)-sulfonyl]benzonitrile |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCCN2S(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9085 |
| logD: | 0.9085 |
| logSw: | -2.4795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.678 |
| InChI Key: | WHCBSROWAPWNKX-SJORKVTESA-N |