(E)-3-(2-bromophenyl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C26H20N3O2BrCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-bromophenyl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-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-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C26H20N3O2BrCl2S
Smiles	O=C(/C=C/c(cccc1)c1Br)N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1
InChI	InChI=1S/C26H20BrCl2N3O2S/c27-19-4-2-1-3-16(19)6-8-25(33)32-11-9-17(10-12-32)26-30-23(15-35-26)24-14-22(31-34-24)18-5-7-20(28)21(29)13-18/h1-8,13-15,17H,9-12H2
InChIK	LQIWZRMFCFNLGI-UHFFFAOYSA-N
TotalMolweight	589.34
Molweight	589.34
MonoisotopicMass	586.983662
CLogP	7.3405
CLogS	-7.499
H Acceptors	5
TotalSurfaceArea	393.75
Relative PSA	0.1854
PolarSurfaceArea	87.47
Druglikeness	3.6657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-3-(2-bromophenyl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one | 2 - (E)-3-(2-bromophenyl)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

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