methyl 2-[(11aRS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoate
Chemical Structure Depiction of
methyl 2-[(11aRS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoate
methyl 2-[(11aRS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoate
Compound characteristics
| Compound ID: | Y042-8036 |
| Compound Name: | methyl 2-[(11aRS)-5-(4-methylphenyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]benzoate |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C28 H23 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1c2c(C[C@H]3C(N(C(N13)=O)c1ccccc1C(=O)OC)=O)c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7331 |
| logD: | 4.7331 |
| logSw: | -4.822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.414 |
| InChI Key: | KCUVPYLWAFFLKJ-XQZUBTRRSA-N |