rel-(4R,4aS,5R,8S)-2-amino-4-(2-chloro-6-fluorophenyl)-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-chloro-6-fluorophenyl)-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-chloro-6-fluorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Compound characteristics
| Compound ID: | 8018-1477 |
| Compound Name: | rel-(4R,4aS,5R,8S)-2-amino-4-(2-chloro-6-fluorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C21 H17 Cl F N5 |
| Smiles: | [H][C@]12C(=C[C@H]3CC[C@@H]2N3C)C(C#N)=C([C@@](C#N)(C#N)[C@H]1c1c(cccc1[Cl])F)N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6974 |
| logD: | 2.6972 |
| logSw: | -3.4423 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.96 |
| InChI Key: | SDNICZOASPRHKD-XIQVPPPBSA-N |