(2-methylpyridin-4-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Chemical Structure Depiction of
(2-methylpyridin-4-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
(2-methylpyridin-4-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone
Compound characteristics
Compound ID: | S616-4455 |
Compound Name: | (2-methylpyridin-4-yl){rel-(1R,6S)-8-[(pyridin-3-yl)methyl]-3,8-diazabicyclo[4.2.0]octan-3-yl}methanone |
Molecular Weight: | 322.41 |
Molecular Formula: | C19 H22 N4 O |
Smiles: | Cc1cc(ccn1)C(N1CC[C@@H]2CN(Cc3cccnc3)[C@@H]2C1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.6399 |
logD: | -0.2456 |
logSw: | -0.6814 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.373 |
InChI Key: | QTMFIEHJHAOBNG-ROUUACIJSA-N |