(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C26H23N3O3S2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C26H23N3O3S2 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C26H23N3O3S2/c30-24(20-10-13-23(14-11-20)34(31,32)28-16-4-5-17-28)15-12-21-19-29(22-7-2-1-3-8-22)27-26(21)25-9-6-18-33-25/h1-3,6-15,18-19H,4-5,16-17H2 |
| InChIK | GMHRTMYDJKDSKY-UHFFFAOYSA-N |
| TotalMolweight | 489.619 |
| Molweight | 489.619 |
| MonoisotopicMass | 489.118082 |
| CLogP | 4.1111 |
| CLogS | -5.099 |
| H Acceptors | 6 |
| TotalSurfaceArea | 361.11 |
| Relative PSA | 0.23087 |
| PolarSurfaceArea | 108.89 |
| Druglikeness | 7.2198 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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