3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-6318 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 554.69 |
| Molecular Formula: | C34 H38 N2 O5 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7126 |
| logD: | 6.3928 |
| logSw: | -5.5149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.442 |
| InChI Key: | UCJLBPVQURQKIB-UHFFFAOYSA-N |