methyl 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 5991-0542 |
| Compound Name: | methyl 4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C30 H30 N2 O6 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2cc(c(c(c2)OC)OC)OC)Nc2ccccc2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9065 |
| logD: | 4.8902 |
| logSw: | -4.715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.628 |
| InChI Key: | WCJTZSUFEHSVDU-UHFFFAOYSA-N |