4-{3-(4-tert-butylphenyl)-11-[4-(methoxycarbonyl)phenyl]-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-{3-(4-tert-butylphenyl)-11-[4-(methoxycarbonyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
4-{3-(4-tert-butylphenyl)-11-[4-(methoxycarbonyl)phenyl]-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: | 4780-0061 |
| Compound Name: | 4-{3-(4-tert-butylphenyl)-11-[4-(methoxycarbonyl)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid |
| Molecular Weight: | 580.68 |
| Molecular Formula: | C35 H36 N2 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.532 |
| logD: | 3.5826 |
| logSw: | -5.6704 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.195 |
| InChI Key: | KLSJULGXXAIOPT-UHFFFAOYSA-N |