3,3-dimethyl-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8010-2736 |
| Compound Name: | 3,3-dimethyl-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C25 H24 N2 O3 |
| Smiles: | Cc1ccc2c(c1)C(C(=CO2)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.25 |
| logD: | 4.1774 |
| logSw: | -4.3513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.641 |
| InChI Key: | ICLRMAQXZDTFSI-QHCPKHFHSA-N |