2-[3,3-dimethyl-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3,3-dimethyl-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(3-methoxypropyl)acetamide
2-[3,3-dimethyl-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | J024-0023 |
| Compound Name: | 2-[3,3-dimethyl-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C28 H35 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(NCCCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.366 |
| logD: | 4.3462 |
| logSw: | -4.2958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.507 |
| InChI Key: | XDJCLDINYHEBLT-MHZLTWQESA-N |