C16H14N4O2F6 | Cheminformatics

2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide

Formula:C16H14N4O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide is a drug-like molecule.

MolName2-ethoxy-N-[1,1,1,3,3,3-hexafluoro-2-(pyrimidin-2-ylamino)propan-2-yl]benzamide
MolecularFormulaC16H14N4O2F6
SmilesCCOc(cccc1)c1C(NC(C(F)(F)F)(C(F)(F)F)Nc1ncccn1)=O
InChIInChI=1S/C16H14F6N4O2/c1-2-28-11-7-4-3-6-10(11)12(27)25-14(15(17,18)19,16(20,21)22)26-13-23-8-5-9-24-13/h3-9H,2H2,1H3,(H,25,27)(H,23,24,26)
InChIKCXQDPMAKEBUCJN-UHFFFAOYSA-N
TotalMolweight408.301
Molweight408.301
MonoisotopicMass408.102094
CLogP3.5118
CLogS-4.546
H Acceptors6
H Donors2
TotalSurfaceArea276.56
Relative PSA0.24552
PolarSurfaceArea76.14
Druglikeness-9.8234
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46429
Fragments1
Non HAtoms28
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms8
Amides1
Aromatic Nitrogens2
StereoCon

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