rel-(4R,4aS,5R,8S)-2-amino-4-(2-chlorophenyl)-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,4aS,5R,8S)-2-amino-4-(2-chlorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
rel-(4R,4aS,5R,8S)-2-amino-4-(2-chlorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Compound characteristics
| Compound ID: | 8018-1198 |
| Compound Name: | rel-(4R,4aS,5R,8S)-2-amino-4-(2-chlorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile |
| Molecular Weight: | 375.86 |
| Molecular Formula: | C21 H18 Cl N5 |
| Smiles: | [H][C@]12C(=C[C@H]3CC[C@@H]2N3C)C(C#N)=C([C@](C#N)(C#N)[C@H]1c1ccccc1[Cl])N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8972 |
| logD: | 2.8969 |
| logSw: | -3.4555 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.96 |
| InChI Key: | WHMVSIICGXGYPV-QCEDGFBPSA-N |