3,3-dimethyl-11-(5-methylfuran-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(5-methylfuran-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(5-methylfuran-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y010-0082 |
| Compound Name: | 3,3-dimethyl-11-(5-methylfuran-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C28 H28 N2 O3 |
| Smiles: | Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(Cc2ccccc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3244 |
| logD: | 5.1069 |
| logSw: | -5.3205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.73 |
| InChI Key: | NVDLQMQDNXREAN-MHZLTWQESA-N |