(4-chloro-2-methoxyphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Chemical Structure Depiction of
(4-chloro-2-methoxyphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
(4-chloro-2-methoxyphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone
Compound characteristics
| Compound ID: | S616-1222 |
| Compound Name: | (4-chloro-2-methoxyphenyl)[rel-(1R,6S)-8-(methanesulfonyl)-3,8-diazabicyclo[4.2.0]octan-3-yl]methanone |
| Molecular Weight: | 358.84 |
| Molecular Formula: | C15 H19 Cl N2 O4 S |
| Smiles: | COc1cc(ccc1C(N1CC[C@@H]2CN([C@@H]2C1)S(C)(=O)=O)=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | 1.8377 |
| logD: | 1.8377 |
| logSw: | -2.9623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.985 |
| InChI Key: | XAEKLMOUIDEUCG-GWCFXTLKSA-N |