3-(2H-1,3-benzodioxol-5-yl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2H-1,3-benzodioxol-5-yl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5253 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 486.52 |
| Molecular Formula: | C28 H26 N2 O6 |
| Smiles: | COc1cc(cc(c1O)OC)C1C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2036 |
| logD: | 4.1871 |
| logSw: | -4.2568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.332 |
| InChI Key: | RCAUWRILWVSLSD-UHFFFAOYSA-N |