MolName : (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one |
MolecularFormula : C19H14N2O5F2S |
Smiles : O=C1OCCC1SC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C/c1ccco1 |
InChI : InChI=1S/C19H14F2N2O5S/c20-18(21)28-12-5-3-11(4-6-12)23-16(24)14(10-13-2-1-8-26-13)22-19(23)29-15-7-9-27-17(15)25/h1-6,8,10,15,18H,7,9H2/t15-/m0/s1 |
InChIK : RDJLDBOPSAMRKO-HNNXBMFYSA-N |
TotalMolweight : 420.391 |
Molweight : 420.391 |
MonoisotopicMass : 420.059149 |
CLogP : 2.0871 |
CLogS : -5.355 |
H Acceptors : 7 |
TotalSurfaceArea : 291.9 |
Relative PSA : 0.31771 |
PolarSurfaceArea : 106.64 |
Druglikeness : 2.1443 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.48276 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
StereoCenters : 1 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 7 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : racemate |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |