2-[(11aRS)-5-(3-chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
Chemical Structure Depiction of
2-[(11aRS)-5-(3-chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
2-[(11aRS)-5-(3-chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
Compound characteristics
| Compound ID: | Y042-7898 |
| Compound Name: | 2-[(11aRS)-5-(3-chlorophenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid |
| Molecular Weight: | 471.9 |
| Molecular Formula: | C26 H18 Cl N3 O4 |
| Smiles: | C1c2c3ccccc3[nH]c2C(c2cccc(c2)[Cl])N2C(N(C([C@H]12)=O)c1ccccc1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8004 |
| logD: | 0.0166 |
| logSw: | -4.5408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.648 |
| InChI Key: | SHMQLCFNRHPQHR-BBQAJUCSSA-N |