Methyl 2-[[2-(1-ethoxyindol-3-yl)acetyl]amino]benzoate
PubChem CID: 155925425
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| Compound Synonyms | CHEMBL4781771, methyl 2-[[2-(1-ethoxyindol-3-yl)acetyl]amino]benzoate |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[[2-(1-ethoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H20N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNNQOCQYCYSTLO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.093 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.144 |
| Compound Name | Methyl 2-[[2-(1-ethoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.142 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.459341076923077 |
| Inchi | InChI=1S/C20H20N2O4/c1-3-26-22-13-14(15-8-5-7-11-18(15)22)12-19(23)21-17-10-6-4-9-16(17)20(24)25-2/h4-11,13H,3,12H2,1-2H3,(H,21,23) |
| Smiles | CCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C(=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients