3-(furan-2-yl)-10-hexanoyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(furan-2-yl)-10-hexanoyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(furan-2-yl)-10-hexanoyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4780-0126 |
| Compound Name: | 3-(furan-2-yl)-10-hexanoyl-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C32 H36 N2 O6 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccco2)Nc2ccccc12)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0818 |
| logD: | 5.8269 |
| logSw: | -5.2793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.193 |
| InChI Key: | ZSQUSLALPQALPW-UHFFFAOYSA-N |