(E)-3-(1-benzylindol-3-yl)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide

Formula:C29H21N4OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-benzylindol-3-yl)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(1-benzylindol-3-yl)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C29H21N4OClS
Smiles	N#C/C(/C(Nc1ncc(Cc(cccc2)c2Cl)s1)=O)=C\c1cn(Cc2ccccc2)c2c1cccc2
InChI	InChI=1S/C29H21ClN4OS/c30-26-12-6-4-10-21(26)15-24-17-32-29(36-24)33-28(35)22(16-31)14-23-19-34(18-20-8-2-1-3-9-20)27-13-7-5-11-25(23)27/h1-14,17,19H,15,18H2,(H,32,33,35)
InChIK	FAOLKFNWOXSIFS-UHFFFAOYSA-N
TotalMolweight	509.032
Molweight	509.032
MonoisotopicMass	508.112458
CLogP	6.6474
CLogS	-7.038
H Acceptors	5
H Donors	1
TotalSurfaceArea	389.61
Relative PSA	0.19573
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	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
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)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide | 2 - (E)-3-(1-benzylindol-3-yl)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide

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