4-[11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-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-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5236-0209 |
| Compound Name: | 4-[11-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C34 H36 N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4236 |
| logD: | 3.4742 |
| logSw: | -5.6581 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.565 |
| InChI Key: | BGNYIUFAMQMHFF-UHFFFAOYSA-N |