4-{3-[4-(dimethylamino)phenyl]-1-oxo-11-phenyl-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-(dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
4-{3-[4-(dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3536-0233 |
| Compound Name: | 4-{3-[4-(dimethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid |
| Molecular Weight: | 509.61 |
| Molecular Formula: | C31 H31 N3 O4 |
| Smiles: | CN(C)c1ccc(cc1)C1CC2=C(C(c3ccccc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7411 |
| logD: | 1.7917 |
| logSw: | -4.2592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.826 |
| InChI Key: | SBCDDAWGPSWJFK-UHFFFAOYSA-N |