11-(3-bromo-4-hydroxy-5-methoxyphenyl)-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-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-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: | 5991-0530 |
| Compound Name: | 11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 581.46 |
| Molecular Formula: | C29 H29 Br N2 O6 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(CC(CC2=O)c2cc(c(c(c2)OC)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8558 |
| logD: | 4.8147 |
| logSw: | -4.4345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.564 |
| InChI Key: | MEZHBYFCCZVRLA-UHFFFAOYSA-N |