methyl 4-{3-(4-tert-butylphenyl)-1-oxo-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-(4-tert-butylphenyl)-1-oxo-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
methyl 4-{3-(4-tert-butylphenyl)-1-oxo-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate
Compound characteristics
| Compound ID: | 8012-4684 |
| Compound Name: | methyl 4-{3-(4-tert-butylphenyl)-1-oxo-10-[(2E)-3-phenylprop-2-enoyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl}benzoate |
| Molecular Weight: | 610.75 |
| Molecular Formula: | C40 H38 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(/C=C/c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.1105 |
| logD: | 8.8695 |
| logSw: | -5.861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | DAYVAWMIUVUNQJ-UHFFFAOYSA-N |