10-hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-6274 |
| Compound Name: | 10-hexanoyl-11-(3-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C31 H31 N3 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc12)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1104 |
| logD: | 6.7906 |
| logSw: | -5.5755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.019 |
| InChI Key: | YEFQGGDTEOUHGY-UHFFFAOYSA-N |