11-(3-bromo-4-ethoxy-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-ethoxy-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-ethoxy-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: | 5991-0733 |
| Compound Name: | 11-(3-bromo-4-ethoxy-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: | 609.52 |
| Molecular Formula: | C31 H33 Br N2 O6 |
| Smiles: | CCOc1c(cc(cc1[Br])C1C2=C(CC(CC2=O)c2cc(c(c(c2)OC)OC)OC)Nc2ccccc2N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8741 |
| logD: | 5.8578 |
| logSw: | -5.4844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.382 |
| InChI Key: | AGPJBRPFKKVLEA-UHFFFAOYSA-N |