4-[3-(4-tert-butylphenyl)-1-oxo-11-(pyridin-3-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-3-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-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4780-0052 |
| Compound Name: | 4-[3-(4-tert-butylphenyl)-1-oxo-11-(pyridin-3-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(c3cccnc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2775 |
| logD: | 2.3281 |
| logSw: | -4.7598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.539 |
| InChI Key: | FFJPCMOQWXRXQZ-UHFFFAOYSA-N |