(Z)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one

Formula:C28H21N3O2Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one
MolecularFormula	C28H21N3O2Cl2S3
Smiles	O=C(/C(/c1cccs1)=C/c1cccs1)N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1
InChI	InChI=1S/C28H21Cl2N3O2S3/c29-21-6-5-18(13-22(21)30)23-15-25(35-32-23)24-16-38-27(31-24)17-7-9-33(10-8-17)28(34)20(26-4-2-12-37-26)14-19-3-1-11-36-19/h1-6,11-17H,7-10H2
InChIK	NPBLPMXXSYKFRF-UHFFFAOYSA-N
TotalMolweight	598.598
Molweight	598.598
MonoisotopicMass	597.017291
CLogP	7.6853
CLogS	-7.642
H Acceptors	5
TotalSurfaceArea	424.97
Relative PSA	0.2676
PolarSurfaceArea	143.95
Druglikeness	7.8696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (Z)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one | 2 - (Z)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one

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