methyl 11-(4-chloro-3-fluorophenyl)-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-(4-chloro-3-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(4-chloro-3-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-6852 |
| Compound Name: | methyl 11-(4-chloro-3-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 414.86 |
| Molecular Formula: | C22 H20 Cl F N2 O3 |
| Smiles: | CC1CC2=C(C(c3ccc(c(c3)F)[Cl])Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4754 |
| logD: | 4.4716 |
| logSw: | -4.5755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.821 |
| InChI Key: | YGAOMEQHQZNRFF-UHFFFAOYSA-N |