methyl 4-[10-(3-methylbutanoyl)-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-(3-methylbutanoyl)-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[10-(3-methylbutanoyl)-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8012-4664 |
| Compound Name: | methyl 4-[10-(3-methylbutanoyl)-1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C32 H32 N2 O4 |
| Smiles: | CC(C)CC(N1C(C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6698 |
| logD: | 6.35 |
| logSw: | -5.7792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.811 |
| InChI Key: | CLXOGWXCTKHVCL-UHFFFAOYSA-N |