3-chloro-6-(3,4-difluorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-1-carboxylic acid
Chemical Structure Depiction of
3-chloro-6-(3,4-difluorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-1-carboxylic acid
3-chloro-6-(3,4-difluorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-1-carboxylic acid
Compound characteristics
| Compound ID: | 8017-2789 |
| Compound Name: | 3-chloro-6-(3,4-difluorophenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-1-carboxylic acid |
| Molecular Weight: | 389.83 |
| Molecular Formula: | C21 H18 Cl F2 N O2 |
| Smiles: | C1CC2CC1C1C2c2c(cc(cc2NC1c1ccc(c(c1)F)F)[Cl])C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8044 |
| logD: | 3.2417 |
| logSw: | -5.8539 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.016 |
| InChI Key: | NOBCPIABFOJRDO-UHFFFAOYSA-N |