N-(2-chlorophenyl)-2-(1-decoxyindol-3-yl)acetamide
PubChem CID: 141490368
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| Compound Synonyms | CHEMBL4778920, N-(2-chlorophenyl)-2-(1-decoxyindol-3-yl)acetamide |
|---|---|
| Topological Polar Surface Area | 43.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-(1-decoxyindol-3-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 8.3 |
| Molecular Formula | C26H33ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVNCTGIHQRTHDM-UHFFFAOYSA-N |
| Fcsp3 | 0.4230769230769231 |
| Logs | -7.089 |
| Rotatable Bond Count | 13.0 |
| Logd | 5.04 |
| Compound Name | N-(2-chlorophenyl)-2-(1-decoxyindol-3-yl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.223 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.223 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 441.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.637257516129032 |
| Inchi | InChI=1S/C26H33ClN2O2/c1-2-3-4-5-6-7-8-13-18-31-29-20-21(22-14-9-12-17-25(22)29)19-26(30)28-24-16-11-10-15-23(24)27/h9-12,14-17,20H,2-8,13,18-19H2,1H3,(H,28,30) |
| Smiles | CCCCCCCCCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl |
| 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