4-[3-(furan-2-yl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(furan-2-yl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(furan-2-yl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4780-0129 |
| Compound Name: | 4-[3-(furan-2-yl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 546.58 |
| Molecular Formula: | C30 H30 N2 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2=C(CC(CC2=O)c2ccco2)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4948 |
| logD: | 0.5454 |
| logSw: | -3.8201 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.577 |
| InChI Key: | YHQQUHQUFYMXJY-UHFFFAOYSA-N |