4-[11-(3-fluorophenyl)-1-oxo-3-(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-[11-(3-fluorophenyl)-1-oxo-3-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(3-fluorophenyl)-1-oxo-3-(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: | 3966-4697 |
| Compound Name: | 4-[11-(3-fluorophenyl)-1-oxo-3-(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: | 574.61 |
| Molecular Formula: | C32 H31 F N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3cccc(c3)F)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2716 |
| logD: | 1.3222 |
| logSw: | -4.3007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.999 |
| InChI Key: | ATWFLZVWWLZNAF-UHFFFAOYSA-N |