N-(3-chloro-4-pyridyl)-2-(1-methoxyindol-3-yl)acetamide
PubChem CID: 141490365
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| Compound Synonyms | CHEMBL4794839, N-(3-chloro-4-pyridyl)-2-(1-methoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(3-chloropyridin-4-yl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H14ClN3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRTAOXGVJYVRSN-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.286 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.343 |
| Compound Name | N-(3-chloro-4-pyridyl)-2-(1-methoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 315.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.077 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 315.75 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7409574545454545 |
| Inchi | InChI=1S/C16H14ClN3O2/c1-22-20-10-11(12-4-2-3-5-15(12)20)8-16(21)19-14-6-7-18-9-13(14)17/h2-7,9-10H,8H2,1H3,(H,18,19,21) |
| Smiles | CON1C=C(C2=CC=CC=C21)CC(=O)NC3=C(C=NC=C3)Cl |
| 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