(E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

Formula:C20H18N5O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
MolecularFormula	C20H18N5O3ClS
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/c3cnc[nH]3)=O)n2)c1Cl)=O
InChI	InChI=1S/C20H18ClN5O3S/c21-16-3-1-14(9-18(16)26(28)29)17-11-30-20(24-17)13-5-7-25(8-6-13)19(27)4-2-15-10-22-12-23-15/h1-4,9-13H,5-8H2,(H,22,23)
InChIK	KCXNSZDQEMBRIA-UHFFFAOYSA-N
TotalMolweight	443.914
Molweight	443.914
MonoisotopicMass	443.081887
CLogP	2.88
CLogS	-4.661
H Acceptors	8
H Donors	1
TotalSurfaceArea	323.49
Relative PSA	0.31933
PolarSurfaceArea	135.94
Druglikeness	0.020779
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one | 2 - (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

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