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(E)-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide

Formula:C27H24N3O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide is not a drug-like molecule.
MolName(E)-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide
MolecularFormulaC27H24N3O4FS
SmilesC=CCN(CC(N(CCc1c2ccs1)C2c(cc1)ccc1F)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O
InChIInChI=1S/C27H24FN3O4S/c1-2-15-29(25(32)12-5-19-3-10-22(11-4-19)31(34)35)18-26(33)30-16-13-24-23(14-17-36-24)27(30)20-6-8-21(28)9-7-20/h2-12,14,17,27H,1,13,15-16,18H2/t27-/m1/s1
InChIKTYGCWRHRWOOHIF-HHHXNRCGSA-N
TotalMolweight505.569
Molweight505.569
MonoisotopicMass505.147155
CLogP4.4074
CLogS-5.259
H Acceptors7
TotalSurfaceArea379.92
Relative PSA0.22099
PolarSurfaceArea114.68
Druglikeness-5.0063
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.52778
Fragments1
Non HAtoms36
NonCHAtoms9
Electronegative Atoms9
StereoCenters1
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms4
Amides2
AcidicOxygens1
StereoConracemate

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