4-[(11aRS)-5-(3-methoxyphenyl)-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
4-[(11aRS)-5-(3-methoxyphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoic acid
4-[(11aRS)-5-(3-methoxyphenyl)-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: | Y042-7861 |
| Compound Name: | 4-[(11aRS)-5-(3-methoxyphenyl)-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: | 467.48 |
| Molecular Formula: | C27 H21 N3 O5 |
| Smiles: | COc1cccc(c1)C1c2c(C[C@H]3C(N(C(N13)=O)c1ccc(cc1)C(O)=O)=O)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1296 |
| logD: | 1.7344 |
| logSw: | -4.3535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.493 |
| InChI Key: | SVPCZEQXXFIDEQ-LETIRJCYSA-N |