4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
Compound characteristics
| Compound ID: | 3705-5819 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C29 H28 N2 O5 |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2527 |
| logD: | 4.2364 |
| logSw: | -4.4824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.489 |
| InChI Key: | LCJJNZUNALVNOD-UHFFFAOYSA-N |