3-(3,4-dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3607-5659 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(3-methoxy-4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C31 H34 N2 O5 |
| Smiles: | CCCOc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5568 |
| logD: | 5.5405 |
| logSw: | -5.4757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.872 |
| InChI Key: | CGQMHJHGBQLKRT-UHFFFAOYSA-N |