(2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.
| MolName | (2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate |
| MolecularFormula | C22H18N2O4 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)OC(CCO1)C1=O |
| InChI | InChI=1S/C22H18N2O4/c25-20(28-19-13-14-27-22(19)26)12-11-17-15-24(18-9-5-2-6-10-18)23-21(17)16-7-3-1-4-8-16/h1-12,15,19H,13-14H2/t19-/m0/s1 |
| InChIK | BCUMBRIPAGXSDX-IBGZPJMESA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 2.3043 |
| CLogS | -4.037 |
| H Acceptors | 6 |
| TotalSurfaceArea | 289.26 |
| Relative PSA | 0.22098 |
| PolarSurfaceArea | 70.42 |
| Druglikeness | 1.0008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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