N-[3-(2,3,4,4a,6,11b-hexahydro-1H,9H-5,8,10-trioxacyclopenta[b]phenanthren-6-yl)phenyl]methanesulfonamide
Chemical Structure Depiction of
N-[3-(2,3,4,4a,6,11b-hexahydro-1H,9H-5,8,10-trioxacyclopenta[b]phenanthren-6-yl)phenyl]methanesulfonamide
N-[3-(2,3,4,4a,6,11b-hexahydro-1H,9H-5,8,10-trioxacyclopenta[b]phenanthren-6-yl)phenyl]methanesulfonamide
Compound characteristics
| Compound ID: | 8019-8842 |
| Compound Name: | N-[3-(2,3,4,4a,6,11b-hexahydro-1H,9H-5,8,10-trioxacyclopenta[b]phenanthren-6-yl)phenyl]methanesulfonamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CS(Nc1cccc(c1)C1c2cc3c(cc2C2CCCCC2O1)OCO3)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.733 |
| logD: | 3.7319 |
| logSw: | -3.8951 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.781 |
| InChI Key: | KGJGYOSDBALCHF-UHFFFAOYSA-N |