3,3,7,8-tetramethyl-11-(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
3,3,7,8-tetramethyl-11-(4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3,7,8-tetramethyl-11-(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: | 3404-5343 |
| Compound Name: | 3,3,7,8-tetramethyl-11-(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: | 414.5 |
| Molecular Formula: | C26 H26 N2 O3 |
| Smiles: | Cc1cc2c(cc1C)NC1CC(C)(C)CC(C=1C(C1=COc3ccccc3C1=O)N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6666 |
| logD: | 4.6028 |
| logSw: | -4.6132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.641 |
| InChI Key: | GDFUHVQYWKGXEF-DEOSSOPVSA-N |