3-(3-methoxyphenyl)-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3-methoxyphenyl)-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3638 |
| Compound Name: | 3-(3-methoxyphenyl)-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C29 H30 N2 O3 |
| Smiles: | CCCOc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0904 |
| logD: | 6.0741 |
| logSw: | -5.5117 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.438 |
| InChI Key: | CTIFPUJIPYLEFK-UHFFFAOYSA-N |