methyl 2-[(11aRS)-5-[4-(methoxycarbonyl)phenyl]-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-(methoxycarbonyl)phenyl]-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-(methoxycarbonyl)phenyl]-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: | Y042-7857 |
| Compound Name: | methyl 2-[(11aRS)-5-[4-(methoxycarbonyl)phenyl]-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: | 509.52 |
| Molecular Formula: | C29 H23 N3 O6 |
| Smiles: | COC(c1ccc(cc1)C1c2c(C[C@H]3C(N(C(N13)=O)c1ccccc1C(=O)OC)=O)c1ccccc1[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4005 |
| logD: | 4.4005 |
| logSw: | -4.4839 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.588 |
| InChI Key: | KOVGSZYIPSIDNG-XQZUBTRRSA-N |