N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

Formula:C22H14N5O3F3S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
MolecularFormula	C22H14N5O3F3S
Smiles	O=C(c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)N/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C22H14F3N5O3S/c23-22(24,25)19-9-16(14-4-2-1-3-5-14)30(29-19)21-27-15(11-34-21)20(31)28-26-10-13-6-7-17-18(8-13)33-12-32-17/h1-11H,12H2,(H,28,31)
InChIK	BRDVDVROXHOSHD-UHFFFAOYSA-N
TotalMolweight	485.445
Molweight	485.445
MonoisotopicMass	485.076944
CLogP	4.8647
CLogS	-5.693
H Acceptors	8
H Donors	1
TotalSurfaceArea	338.89
Relative PSA	0.31037
PolarSurfaceArea	118.87
Druglikeness	-4.39
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

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