3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-4326 |
| Compound Name: | 3,3-dimethyl-11-[5-(3-nitrophenyl)furan-2-yl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 525.48 |
| Molecular Formula: | C27 H22 F3 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c4cccc(c4)[N+]([O-])=O)o3)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8355 |
| logD: | 5.4978 |
| logSw: | -5.5696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.217 |
| InChI Key: | QQHYAQUYNOOSLO-DEOSSOPVSA-N |