4-[3-(4-methoxyphenyl)-1-oxo-11-(thiophen-2-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-methoxyphenyl)-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(4-methoxyphenyl)-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8011-9865 |
| Compound Name: | 4-[3-(4-methoxyphenyl)-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C28 H26 N2 O5 S |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3cccs3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2534 |
| logD: | 1.304 |
| logSw: | -4.1491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.583 |
| InChI Key: | KGEXVVPEHJTOJQ-UHFFFAOYSA-N |