(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

Formula:C29H18N5OCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C29H18N5OCl3S
Smiles	N#C/C(/C(Nc1ncc(Cc(ccc(Cl)c2)c2Cl)s1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChI	InChI=1S/C29H18Cl3N5OS/c30-22-9-6-18(7-10-22)27-21(17-37(36-27)24-4-2-1-3-5-24)12-20(15-33)28(38)35-29-34-16-25(39-29)13-19-8-11-23(31)14-26(19)32/h1-12,14,16-17H,13H2,(H,34,35,38)
InChIK	BFDVHYLOSYKOOQ-UHFFFAOYSA-N
TotalMolweight	590.921
Molweight	590.921
MonoisotopicMass	589.029761
CLogP	7.2487
CLogS	-9.045
H Acceptors	6
H Donors	1
TotalSurfaceArea	430.61
Relative PSA	0.20257
PolarSurfaceArea	111.84
Druglikeness	1.5734
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; limit! thiazol-2-ylamine
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

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