4-[11-(3-methoxyphenyl)-1-oxo-3-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-(3-methoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(3-methoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8012-4660 |
| Compound Name: | 4-[11-(3-methoxyphenyl)-1-oxo-3-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C30 H28 N2 O5 |
| Smiles: | COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6713 |
| logD: | 1.7219 |
| logSw: | -4.3498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.565 |
| InChI Key: | DYSRQKPJDLJHSR-UHFFFAOYSA-N |