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(Z)-1-[3-(trifluoromethyl)phenyl]-N-[8-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl]methanimine

Formula:C20H10N8O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[3-(trifluoromethyl)phenyl]-N-[8-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl]methanimine is not a drug-like molecule.
MolName(Z)-1-[3-(trifluoromethyl)phenyl]-N-[8-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl]methanimine
MolecularFormulaC20H10N8O2F6
SmilesFC(c1cccc(/C=N\N(c2nonc22)c3nonc3N2/N=C\c2cccc(C(F)(F)F)c2)c1)(F)F
InChIInChI=1S/C20H10F6N8O2/c21-19(22,23)13-5-1-3-11(7-13)9-27-33-15-17(31-35-29-15)34(18-16(33)30-36-32-18)28-10-12-4-2-6-14(8-12)20(24,25)26/h1-10H
InChIKTXVQKSBIOROZQW-UHFFFAOYSA-N
TotalMolweight508.341
Molweight508.341
MonoisotopicMass508.08309
CLogP7.2632
CLogS-8.892
H Acceptors10
TotalSurfaceArea342.5
Relative PSA0.29845
PolarSurfaceArea109.04
Druglikeness-2.9624
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms36
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms22
Aromatic Nitrogens4
StereoCon

Request More Details | (Z)-1-[3-(trifluoromethyl)phenyl]-N-[8-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-5,11-dioxa-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl]methanimine


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