methyl 11-(2,5-difluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
methyl 11-(2,5-difluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(2,5-difluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
Compound ID: | 8013-2754 |
Compound Name: | methyl 11-(2,5-difluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
Molecular Weight: | 398.41 |
Molecular Formula: | C22 H20 F2 N2 O3 |
Smiles: | CC1CC2=C(C(c3cc(ccc3F)F)Nc3ccccc3N2)C(C1C(=O)OC)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.0065 |
logD: | 4.0039 |
logSw: | -4.1807 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.821 |
InChI Key: | MEQRVCMWCLVXAP-UHFFFAOYSA-N |