3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 2711-4325 |
| Compound Name: | 3-(4-methoxyphenyl)-11-(4-methyl-3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C27 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7592 |
| logD: | 5.7429 |
| logSw: | -5.4549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.101 |
| InChI Key: | KXOFSJXBEJOGMY-UHFFFAOYSA-N |