10-hexanoyl-3-(4-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-hexanoyl-3-(4-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-hexanoyl-3-(4-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-6319 |
| Compound Name: | 10-hexanoyl-3-(4-methoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C32 H33 N3 O5 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc12)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0885 |
| logD: | 6.7687 |
| logSw: | -5.5827 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.563 |
| InChI Key: | KDFSJBXMDUSNAH-UHFFFAOYSA-N |