4-[3-(2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate
4-[3-(2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3490-5544 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]-2-methoxyphenyl acetate |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C29 H26 N2 O6 |
| Smiles: | CC(=O)Oc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7463 |
| logD: | 4.73 |
| logSw: | -4.6549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.06 |
| InChI Key: | AVZRCILQGOVJDE-UHFFFAOYSA-N |