Methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
PubChem CID: 141490321
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| Compound Synonyms | CI-39, 2132412-25-8, CHEMBL4792750, methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate, DA-51890, HY-146364, CS-0498478 |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H18N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGJMDRAYQMMCCB-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.725 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.368 |
| Compound Name | Methyl 2-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.127 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2286506 |
| Inchi | InChI=1S/C19H18N2O4/c1-24-19(23)15-8-3-5-9-16(15)20-18(22)11-13-12-21(25-2)17-10-6-4-7-14(13)17/h3-10,12H,11H2,1-2H3,(H,20,22) |
| Smiles | COC(=O)C1=CC=CC=C1NC(=O)CC2=CN(C3=CC=CC=C32)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients