N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide

Formula:C28H21N5OF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
MolecularFormula	C28H21N5OF4S
Smiles	O=C(Cc1csc(Nc2cc(C(F)(F)F)ccc2)n1)N/N=C\c1cn(Cc2cc(F)ccc2)c2c1cccc2
InChI	InChI=1S/C28H21F4N5OS/c29-21-7-3-5-18(11-21)15-37-16-19(24-9-1-2-10-25(24)37)14-33-36-26(38)13-23-17-39-27(35-23)34-22-8-4-6-20(12-22)28(30,31)32/h1-12,14,16-17H,13,15H2,(H,34,35)(H,36,38)
InChIK	UTUZDRKLKADIBC-UHFFFAOYSA-N
TotalMolweight	551.567
Molweight	551.567
MonoisotopicMass	551.140292
CLogP	6.8882
CLogS	-7.091
H Acceptors	6
H Donors	2
TotalSurfaceArea	399.8
Relative PSA	0.21428
PolarSurfaceArea	99.55
Druglikeness	0.050035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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