4-[3-(4-methylphenyl)-1-oxo-11-{4-[(propan-2-yl)oxy]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-[3-(4-methylphenyl)-1-oxo-11-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-methylphenyl)-1-oxo-11-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8012-4677 |
| Compound Name: | 4-[3-(4-methylphenyl)-1-oxo-11-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C33 H34 N2 O5 |
| Smiles: | CC(C)Oc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7367 |
| logD: | 2.7873 |
| logSw: | -5.3014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.824 |
| InChI Key: | RWAYGMISOWDGPF-UHFFFAOYSA-N |