(isoquinolin-1-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Chemical Structure Depiction of
(isoquinolin-1-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
(isoquinolin-1-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Compound characteristics
| Compound ID: | S616-0406 |
| Compound Name: | (isoquinolin-1-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C22 H22 N4 O |
| Smiles: | C1CN(C[C@@H]2[C@H]1CN2Cc1cccnc1)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7966 |
| logD: | 0.6054 |
| logSw: | -1.8266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.065 |
| InChI Key: | DVJIALQFDBXVGH-ICSRJNTNSA-N |