rel-(2R,3R,10bS)-2-(4-ethoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-2-(4-ethoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-2-(4-ethoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1575 |
| Compound Name: | rel-(2R,3R,10bS)-2-(4-ethoxyphenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C33 H33 N3 O2 |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C23CC4CC(CC(C4)C3)C2)=O)[C@H](c2ccc(cc2)OCC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.6013 |
| logD: | 6.0257 |
| logSw: | -5.8465 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.942 |
| InChI Key: | XMQFNNGZEAJCMW-AIXYRUEXSA-N |