2-[(11aRS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-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)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
2-[(11aRS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-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: | Y042-8034 |
| Compound Name: | 2-[(11aRS)-1,3-dioxo-5-[4-(propan-2-yl)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C29 H25 N3 O4 |
| Smiles: | CC(C)c1ccc(cc1)C1c2c(C[C@H]3C(N(C(N13)=O)c1ccccc1C(O)=O)=O)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5356 |
| logD: | 0.7519 |
| logSw: | -5.5269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.648 |
| InChI Key: | JTZBZLAPBKFXAD-RMVMEJTISA-N |