11-(furan-2-yl)-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-(furan-2-yl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(furan-2-yl)-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: | 3393-0050 |
| Compound Name: | 11-(furan-2-yl)-10-hexanoyl-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C29 H29 N3 O5 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2cccc(c2)[N+]([O-])=O)Nc2ccccc12)c1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1409 |
| logD: | 5.6884 |
| logSw: | -5.2818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.597 |
| InChI Key: | CWKGLTMQAPCFIT-UHFFFAOYSA-N |