methyl 4,5-dimethoxy-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzoate
methyl 4,5-dimethoxy-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzoate
Compound characteristics
| Compound ID: | Y042-7855 |
| Compound Name: | methyl 4,5-dimethoxy-2-[(11bS)-8-methoxy-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]benzoate |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C25 H25 N3 O7 |
| Smiles: | C[C@@]12C(N(C(N2CCc2c3cc(ccc3[nH]c12)OC)=O)c1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1226 |
| logD: | 3.1226 |
| logSw: | -3.4201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.62 |
| InChI Key: | QSFJZPFPPPRENH-VWLOTQADSA-N |