11-(4-methoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-methoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-methoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0035 |
| Compound Name: | 11-(4-methoxyphenyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C26 H23 N3 O4 |
| Smiles: | COc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9656 |
| logD: | 4.9493 |
| logSw: | -4.6881 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.402 |
| InChI Key: | PIKWZUCRTCRENM-UHFFFAOYSA-N |