11-(4-chlorophenyl)-10-hexanoyl-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-chlorophenyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-chlorophenyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y509-3365 |
| Compound Name: | 11-(4-chlorophenyl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C31 H30 Cl N3 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc12)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5347 |
| logD: | 7.2149 |
| logSw: | -6.4076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.019 |
| InChI Key: | PLUWBBVOAUSTMD-UHFFFAOYSA-N |