4-[11-(4-tert-butylphenyl)-3,3-dimethyl-1-oxo-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-(4-tert-butylphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[11-(4-tert-butylphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y600-1489 |
| Compound Name: | 4-[11-(4-tert-butylphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C29 H34 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)C(C)(C)C)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2444 |
| logD: | 2.295 |
| logSw: | -4.9485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.293 |
| InChI Key: | OZRYRMPNFHITFC-MHZLTWQESA-N |