CBMicro_047462
9-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBMicro_047462|ChemDiv1_006266|MixCom6_002406|HMS604M18|BAS 02841732|BIM-0047594.P001|J2.677.141B|AG-205/15425354|SR-01000455248-1|3-(3,4-dimethoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one|3-(3,4-Dimethoxy-phenyl)-11-(3-trifluoromethyl-phenyl)-2,3,4,5,10,11-hexahydro-d|14-(3,4-dimethoxyphenyl)-10-[3-(trifluoromethyl)phenyl]-2,9-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraen-12-one|3-(3,4-Dimethoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-1-one|3-(3,4-dimethoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4-trihydro-5H,10H,1 1H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C28H25F3N2O3 |
|---|---|
| Molecular Weight | 494.18173 g/mol |
| LogP | 6.7021 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.18173 |
| Monoisotopic Mass | 494.18173 |
| Heavy Atoms | 36 |
| Complexity | 1349.8617 |
Chemical Identifiers
| CAS Number | 297159-55-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)C(F)(F)F)C(=O)C2)OC |
Product Overview
CBMicro_047462 (CAS 297159-55-8), with molecular formula C28H25F3N2O3 and molecular weight 494.18173 g/mol. IUPAC: 9-(3,4-dimethoxyphenyl)-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.