rel-(4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Chemical Structure Depiction of
rel-(4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
rel-(4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Compound characteristics
| Compound ID: | 8018-1478 |
| Compound Name: | rel-(4R,4aR,5S,8R)-2-amino-4-(3-methoxyphenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C22 H21 N5 O |
| Smiles: | [H][C@@]12C(=C[C@H]3CC[C@@H]1N3C)C(C#N)=C([C@@](C#N)(C#N)[C@H]2c1cccc(c1)OC)N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3401 |
| logD: | 2.3399 |
| logSw: | -2.605 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.504 |
| InChI Key: | FECXSRCBUAIHFT-ZNUQSRJQSA-N |