methyl 4-[3-(4-methoxyphenyl)-1-oxo-10-(trifluoroacetyl)-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-methoxyphenyl)-1-oxo-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3-(4-methoxyphenyl)-1-oxo-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0105 |
| Compound Name: | methyl 4-[3-(4-methoxyphenyl)-1-oxo-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 550.53 |
| Molecular Formula: | C30 H25 F3 N2 O5 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc2N1C(C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0547 |
| logD: | 5.7349 |
| logSw: | -5.6422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.882 |
| InChI Key: | SKYDUIRPIPWPIR-UHFFFAOYSA-N |