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

Formula:C29H20N4OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-benzylindol-3-yl)-2-cyano-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1-benzylindol-3-yl)-2-cyano-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C29H20N4OCl2S
Smiles	N#C/C(/C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)=O)=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C29H20Cl2N4OS/c30-25-11-6-9-20(27(25)31)14-23-16-33-29(37-23)34-28(36)21(15-32)13-22-18-35(17-19-7-2-1-3-8-19)26-12-5-4-10-24(22)26/h1-13,16,18H,14,17H2,(H,33,34,36)
InChIK	PKZHPUHMHRYPBX-UHFFFAOYSA-N
TotalMolweight	543.477
Molweight	543.477
MonoisotopicMass	542.073485
CLogP	7.2534
CLogS	-7.774
H Acceptors	5
H Donors	1
TotalSurfaceArea	405.03
Relative PSA	0.18828
PolarSurfaceArea	98.95
Druglikeness	1.089
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	26
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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

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