methyl 4,5-dimethoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]benzoate
Formula:C22H25N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
methyl 4,5-dimethoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]benzoate is a drug-like molecule.
| MolName | methyl 4,5-dimethoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]benzoate |
| MolecularFormula | C22H25N3O6 |
| Smiles | COC(c(cc(c(OC)c1)OC)c1NC(NCCc1c[nH]c(cc2)c1cc2OC)=O)=O |
| InChI | InChI=1S/C22H25N3O6/c1-28-14-5-6-17-15(9-14)13(12-24-17)7-8-23-22(27)25-18-11-20(30-3)19(29-2)10-16(18)21(26)31-4/h5-6,9-12,24H,7-8H2,1-4H3,(H2,23,25,27) |
| InChIK | LLGYSUNWUDJQKV-UHFFFAOYSA-N |
| TotalMolweight | 427.456 |
| Molweight | 427.456 |
| MonoisotopicMass | 427.174337 |
| CLogP | 2.6829 |
| CLogS | -4.292 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 332.17 |
| Relative PSA | 0.31005 |
| PolarSurfaceArea | 110.91 |
| Druglikeness | -0.36351 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 10 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - methyl 4,5-dimethoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]benzoate | 2 - methyl 4,5-dimethoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]benzoate
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