(2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate
Molecular 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 |