methyl 4-[10-acetyl-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-acetyl-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[10-acetyl-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0036 |
| Compound Name: | methyl 4-[10-acetyl-3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C30 H28 N2 O4 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7309 |
| logD: | 5.4111 |
| logSw: | -5.5759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.806 |
| InChI Key: | DFIWWTJUHYTFJB-UHFFFAOYSA-N |