11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-2694 |
| Compound Name: | 11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 519.36 |
| Molecular Formula: | C25 H22 Br F3 N2 O2 |
| Smiles: | CC1(C)CC2=C(C(/C(=C/c3ccccc3)[Br])N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9248 |
| logD: | 5.2439 |
| logSw: | -5.6167 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.436 |
| InChI Key: | QSFPRZFGMMHING-QFIPXVFZSA-N |