11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 2694-4316 |
| Compound Name: | 11-(4-methyl-3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7811 |
| logD: | 5.7648 |
| logSw: | -5.4926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.557 |
| InChI Key: | MBGAFOVYUZEWKC-UHFFFAOYSA-N |