(E)-3-(2-bromophenyl)-1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C23H19N2OBrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-bromophenyl)-1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(2-bromophenyl)-1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C23H19N2OBrCl2S
Smiles	O=C(/C=C/c(cccc1)c1Br)N(CC1)CCC1c1nc(-c(cc2)cc(Cl)c2Cl)cs1
InChI	InChI=1S/C23H19BrCl2N2OS/c24-18-4-2-1-3-15(18)6-8-22(29)28-11-9-16(10-12-28)23-27-21(14-30-23)17-5-7-19(25)20(26)13-17/h1-8,13-14,16H,9-12H2
InChIK	AKSGRGWJFLAQSH-UHFFFAOYSA-N
TotalMolweight	522.293
Molweight	522.293
MonoisotopicMass	519.977848
CLogP	7.089
CLogS	-6.932
H Acceptors	3
TotalSurfaceArea	345.54
Relative PSA	0.13868
PolarSurfaceArea	61.44
Druglikeness	2.8393
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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