HIV-1 inhibitor-30
PubChem CID: 141490343
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| Compound Synonyms | HIV-1 inhibitor-30, 2132412-77-0, 2-(1-butoxyindol-3-yl)-N-(3-chloro-4-pyridyl)acetamide, CHEMBL4786649, DA-54017, HY-146365, CS-0498479 |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 437.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-butoxyindol-3-yl)-N-(3-chloropyridin-4-yl)acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H20ClN3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPPDARPGFXISJD-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.088 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.328 |
| Compound Name | HIV-1 inhibitor-30 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 357.124 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 357.124 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 357.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.530814200000001 |
| Inchi | InChI=1S/C19H20ClN3O2/c1-2-3-10-25-23-13-14(15-6-4-5-7-18(15)23)11-19(24)22-17-8-9-21-12-16(17)20/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,22,24) |
| Smiles | CCCCON1C=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