4-[11-(3-butoxyphenyl)-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-(3-butoxyphenyl)-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-(3-butoxyphenyl)-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: | 5236-0141 |
| Compound Name: | 4-[11-(3-butoxyphenyl)-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: | 490.6 |
| Molecular Formula: | C29 H34 N2 O5 |
| Smiles: | CCCCOc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.921 |
| logD: | 1.9716 |
| logSw: | -4.3833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.71 |
| InChI Key: | JINSJPLTTRPAGF-NDEPHWFRSA-N |