3,3-dimethyl-11-(4-nitrophenyl)-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-(4-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(4-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0065 |
| Compound Name: | 3,3-dimethyl-11-(4-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 459.42 |
| Molecular Formula: | C23 H20 F3 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[N+]([O-])=O)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7104 |
| logD: | 4.4805 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.818 |
| InChI Key: | SRDOTCPLHRZRGE-FQEVSTJZSA-N |