1-[11-(3-bromophenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-[11-(3-bromophenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethan-1-one
1-[11-(3-bromophenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | Y509-0164 |
| Compound Name: | 1-[11-(3-bromophenyl)-1-hydroxy-3-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 541.37 |
| Molecular Formula: | C27 H20 Br F3 N2 O2 |
| Smiles: | C1C(CC2C(C(c3cccc(c3)[Br])N(C(C(F)(F)F)=O)c3ccccc3N=2)=C1O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1596 |
| logD: | 6.1583 |
| logSw: | -5.7461 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.285 |
| InChI Key: | XKDSVKMILBEXIK-UHFFFAOYSA-N |