11-{4-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{4-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{4-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8016-6178 |
| Compound Name: | 11-{4-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C25 H30 N2 O2 |
| Smiles: | CCC(C)Oc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3923 |
| logD: | 5.3818 |
| logSw: | -5.4522 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.434 |
| InChI Key: | BAGZFKRJSDUEGI-UHFFFAOYSA-N |