11-(furan-2-yl)-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-(furan-2-yl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(furan-2-yl)-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: | 3393-0052 |
| Compound Name: | 11-(furan-2-yl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C25 H18 F3 N3 O5 |
| Smiles: | C1C(CC(C2C(c3ccco3)N(C(C(F)(F)F)=O)c3ccccc3NC1=2)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8888 |
| logD: | 4.4362 |
| logSw: | -4.8849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.124 |
| InChI Key: | WEYSXVKKUBNLON-UHFFFAOYSA-N |