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

Formula:C29H20N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
MolecularFormula	C29H20N5OClS
Smiles	N#C/C(/C(Nc1ncc(Cc(cc2)ccc2Cl)s1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C29H20ClN5OS/c30-24-13-11-20(12-14-24)15-26-18-32-29(37-26)33-28(36)22(17-31)16-23-19-35(25-9-5-2-6-10-25)34-27(23)21-7-3-1-4-8-21/h1-14,16,18-19H,15H2,(H,32,33,36)
InChIK	PEJTWBYOIOYWJY-UHFFFAOYSA-N
TotalMolweight	522.031
Molweight	522.031
MonoisotopicMass	521.107707
CLogP	6.0367
CLogS	-7.573
H Acceptors	6
H Donors	1
TotalSurfaceArea	399.77
Relative PSA	0.2182
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	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	3
StereoCon

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

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