methyl 2-[(11aRS)-5-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | Y042-8040 |
| Compound Name: | methyl 2-[(11aRS)-5-(3-chlorophenyl)-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: | 485.93 |
| Molecular Formula: | C27 H20 Cl N3 O4 |
| Smiles: | COC(c1ccccc1N1C([C@@H]2Cc3c4ccccc4[nH]c3C(c3cccc(c3)[Cl])N2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9127 |
| logD: | 4.9127 |
| logSw: | -4.9444 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.414 |
| InChI Key: | ISYMECMDAGTCIO-OWJIYDKWSA-N |