N-(3-chloropyridin-4-yl)-2-(1-propoxyindol-3-yl)acetamide
PubChem CID: 141490253
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| Compound Synonyms | CHEMBL4789248 |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3-chloropyridin-4-yl)-2-(1-propoxyindol-3-yl)acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C18H18ClN3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXILPORWLFNGHC-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 6.0 |
| Compound Name | N-(3-chloropyridin-4-yl)-2-(1-propoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 343.109 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 343.109 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 343.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.301546800000001 |
| Inchi | InChI=1S/C18H18ClN3O2/c1-2-9-24-22-12-13(14-5-3-4-6-17(14)22)10-18(23)21-16-7-8-20-11-15(16)19/h3-8,11-12H,2,9-10H2,1H3,(H,20,21,23) |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=C(C=NC=C3)Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients