rel-(9aR,13aS)-1-(3-fluorobenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(3-fluorobenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(3-fluorobenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0247 |
| Compound Name: | rel-(9aR,13aS)-1-(3-fluorobenzene-1-sulfonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H27 F N2 O3 S |
| Smiles: | C1CCCN([C@H]2CCCC[C@H]2C(NCC1)=O)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0747 |
| logD: | 3.0747 |
| logSw: | -3.3606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.348 |
| InChI Key: | CNLYEVUCFJTOHC-MSOLQXFVSA-N |