11-(2-bromo-4,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(2-bromo-4,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2-bromo-4,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0662 |
| Compound Name: | 11-(2-bromo-4,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 595.49 |
| Molecular Formula: | C30 H31 Br N2 O6 |
| Smiles: | COc1cc(C2C3=C(CC(CC3=O)c3cc(c(c(c3)OC)OC)OC)Nc3ccccc3N2)c(cc1OC)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9838 |
| logD: | 4.9725 |
| logSw: | -4.6677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.715 |
| InChI Key: | RBLNOGDDPSHGLU-UHFFFAOYSA-N |