2-(2-chlorophenyl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
2-(2-chlorophenyl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one
Compound characteristics
| Compound ID: | S616-2183 |
| Compound Name: | 2-(2-chlorophenyl)-1-[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]ethan-1-one |
| Molecular Weight: | 342.84 |
| Molecular Formula: | C15 H19 Cl N2 O3 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@@H]12)C(Cc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8665 |
| logD: | 1.8665 |
| logSw: | -2.5582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.827 |
| InChI Key: | NYZYYRGDGOHIFQ-JSGCOSHPSA-N |