methyl [11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Chemical Structure Depiction of
methyl [11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
methyl [11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Compound characteristics
| Compound ID: | 4778-0054 |
| Compound Name: | methyl [11-(furan-2-yl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C22 H24 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(CC(=O)OC)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5378 |
| logD: | 3.5048 |
| logSw: | -3.7019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.009 |
| InChI Key: | RMOCVIDOFRGKJJ-NRFANRHFSA-N |