4-[11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y509-0178 |
| Compound Name: | 4-[11-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 665.19 |
| Molecular Formula: | C39 H37 Cl N2 O6 |
| Smiles: | CCOc1cc(ccc1OCc1ccc(cc1)[Cl])C1C2=C(CC(CC2=Nc2ccccc2N1C(CCC(O)=O)=O)c1ccc(C)cc1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3415 |
| logD: | 3.3921 |
| logSw: | -5.9798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.666 |
| InChI Key: | SHPIGDPVWONVNK-UHFFFAOYSA-N |