(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide

Formula:C30H18N5OCl2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C30H18N5OCl2F3S
Smiles	N#C/C(/C(Nc1ncc(Cc(cc2)cc(C(F)(F)F)c2Cl)s1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChI	InChI=1S/C30H18Cl2F3N5OS/c31-22-9-7-19(8-10-22)27-21(17-40(39-27)23-4-2-1-3-5-23)14-20(15-36)28(41)38-29-37-16-24(42-29)12-18-6-11-26(32)25(13-18)30(33,34)35/h1-11,13-14,16-17H,12H2,(H,37,38,41)
InChIK	AJRBADZICXCCOE-UHFFFAOYSA-N
TotalMolweight	624.473
Molweight	624.473
MonoisotopicMass	623.056118
CLogP	7.491
CLogS	-9.087
H Acceptors	6
H Donors	1
TotalSurfaceArea	444.65
Relative PSA	0.19618
PolarSurfaceArea	111.84
Druglikeness	-5.6166
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.47619
Fragments	1
Non HAtoms	42
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide | 2 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide

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