Methyl 2-[[2-(1-propoxyindol-3-yl)acetyl]amino]benzoate
PubChem CID: 155925054
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| Compound Synonyms | CHEMBL4792436, methyl 2-[[2-(1-propoxyindol-3-yl)acetyl]amino]benzoate |
|---|---|
| Topological Polar Surface Area | 69.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-[[2-(1-propoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H22N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWKXXXUHMXQZRV-UHFFFAOYSA-N |
| Fcsp3 | 0.238095238095238 |
| Logs | -5.569 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.844 |
| Compound Name | Methyl 2-[[2-(1-propoxyindol-3-yl)acetyl]amino]benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.158 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.798396511111111 |
| Inchi | InChI=1S/C21H22N2O4/c1-3-12-27-23-14-15(16-8-5-7-11-19(16)23)13-20(24)22-18-10-6-4-9-17(18)21(25)26-2/h4-11,14H,3,12-13H2,1-2H3,(H,22,24) |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C(=O)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