4-[3-(4-tert-butylphenyl)-1-oxo-11-(pyridin-4-yl)-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-(4-tert-butylphenyl)-1-oxo-11-(pyridin-4-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-tert-butylphenyl)-1-oxo-11-(pyridin-4-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
Compound ID: | 5742-0719 |
Compound Name: | 4-[3-(4-tert-butylphenyl)-1-oxo-11-(pyridin-4-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
Molecular Weight: | 523.63 |
Molecular Formula: | C32 H33 N3 O4 |
Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccncc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.2835 |
logD: | 2.3341 |
logSw: | -4.8405 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.449 |
InChI Key: | ONZSTRMVESGJJF-UHFFFAOYSA-N |