methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Chemical Structure Depiction of
methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Compound characteristics
| Compound ID: | 3490-5497 |
| Compound Name: | methyl 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C27 H24 N2 O3 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.372 |
| logD: | 5.3557 |
| logSw: | -5.5833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.651 |
| InChI Key: | XLGWEVGPVOWTDJ-UHFFFAOYSA-N |