4-{11-(4-methoxyphenyl)-1-oxo-3-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{11-(4-methoxyphenyl)-1-oxo-3-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
4-{11-(4-methoxyphenyl)-1-oxo-3-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3966-4677 |
| Compound Name: | 4-{11-(4-methoxyphenyl)-1-oxo-3-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid |
| Molecular Weight: | 564.56 |
| Molecular Formula: | C31 H27 F3 N2 O5 |
| Smiles: | COc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)C(F)(F)F)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5019 |
| logD: | 2.5525 |
| logSw: | -5.3628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.565 |
| InChI Key: | OTKLYAOXWMTOHL-UHFFFAOYSA-N |