1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-3-(4-methoxyphenyl)propan-1-one
1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S616-0045 |
| Compound Name: | 1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 364.49 |
| Molecular Formula: | C23 H28 N2 O2 |
| Smiles: | COc1ccc(CCC(N2CC[C@@H]3CN(Cc4ccccc4)[C@@H]3C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.409 |
| logD: | 1.1773 |
| logSw: | -3.4836 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.0171 |
| InChI Key: | PIYZIJGQARJHLA-UNMCSNQZSA-N |