11-(furan-2-yl)-3,3-dimethyl-10-[(3-methylphenyl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(furan-2-yl)-3,3-dimethyl-10-[(3-methylphenyl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(furan-2-yl)-3,3-dimethyl-10-[(3-methylphenyl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0501 |
| Compound Name: | 11-(furan-2-yl)-3,3-dimethyl-10-[(3-methylphenyl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C27 H28 N2 O2 |
| Smiles: | Cc1cccc(CN2C(C3=C(CC(C)(C)CC3=O)Nc3ccccc23)c2ccco2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9158 |
| logD: | 5.8921 |
| logSw: | -5.4917 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.159 |
| InChI Key: | SUFNSSXPHIUIHZ-SANMLTNESA-N |