2-(1-propoxyindol-3-yl)-N-pyrimidin-4-yl-acetamide
PubChem CID: 155923799
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| Compound Synonyms | CHEMBL4782177, 2-(1-propoxyindol-3-yl)-N-pyrimidin-4-yl-acetamide |
|---|---|
| Topological Polar Surface Area | 69.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-propoxyindol-3-yl)-N-pyrimidin-4-ylacetamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H18N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRHJQICOSSGDPG-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -2.753 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.445 |
| Compound Name | 2-(1-propoxyindol-3-yl)-N-pyrimidin-4-yl-acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.143 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8731220956521746 |
| Inchi | InChI=1S/C17H18N4O2/c1-2-9-23-21-11-13(14-5-3-4-6-15(14)21)10-17(22)20-16-7-8-18-12-19-16/h3-8,11-12H,2,9-10H2,1H3,(H,18,19,20,22) |
| Smiles | CCCON1C=C(C2=CC=CC=C21)CC(=O)NC3=NC=NC=C3 |
| 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