3,3,7,8-tetramethyl-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
3,3,7,8-tetramethyl-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
3,3,7,8-tetramethyl-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: | 3490-5450 |
| Compound Name: | 3,3,7,8-tetramethyl-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: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | Cc1ccc2c(c1)C(C(=CO2)C1C2=C(CC(C)(C)CC2=O)Nc2cc(C)c(C)cc2N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0748 |
| logD: | 5.011 |
| logSw: | -4.7083 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.641 |
| InChI Key: | LXUSMDMQPSEYKW-VWLOTQADSA-N |