1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S616-1660 |
| Compound Name: | 1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | Cc1ccccc1CC(N1CC[C@@H]2CN([C@@H]2C1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.91 |
| logD: | 1.91 |
| logSw: | -2.2545 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.827 |
| InChI Key: | NRWWVLVHIJVOOO-CABCVRRESA-N |