2-(1H-indol-3-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
Chemical Structure Depiction of
2-(1H-indol-3-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
2-(1H-indol-3-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | S616-1191 |
| Compound Name: | 2-(1H-indol-3-yl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@@H]12)C(Cc1c[nH]c2ccccc12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.311 |
| logD: | 1.311 |
| logSw: | -2.2789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.698 |
| InChI Key: | ZAASYTBXTDFJMD-WBMJQRKESA-N |