11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0064 |
| Compound Name: | 11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 541.91 |
| Molecular Formula: | C27 H19 Cl F3 N3 O4 |
| Smiles: | C1C(CC(C2C(c3ccc(cc3)[Cl])N(C(C(F)(F)F)=O)c3ccccc3NC1=2)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2825 |
| logD: | 5.9627 |
| logSw: | -6.5352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.546 |
| InChI Key: | BRHZQUUPHVDNJY-UHFFFAOYSA-N |