11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-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-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0123 |
| Compound Name: | 11-(1-bromo-2-phenylethenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C23 H23 Br N2 O |
| Smiles: | CC1(C)CC2=C(C(/C(=C\c3ccccc3)[Br])Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3188 |
| logD: | 5.2644 |
| logSw: | -5.3935 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.748 |
| InChI Key: | VNVLZAVRMFRLKA-QFIPXVFZSA-N |