(E)-4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

Formula:C27H22N4O3Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide is not a drug-like molecule.

MolName	(E)-4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide
MolecularFormula	C27H22N4O3Cl2S
Smiles	O=C(/C=C/C(N(CC1)CCC1c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=O)Nc(cc1)ccc1-c1cnco1
InChI	InChI=1S/C27H22Cl2N4O3S/c28-21-6-3-19(13-22(21)29)23-15-37-27(32-23)18-9-11-33(12-10-18)26(35)8-7-25(34)31-20-4-1-17(2-5-20)24-14-30-16-36-24/h1-8,13-16,18H,9-12H2,(H,31,34)
InChIK	FOTVMKWVGZAAFO-UHFFFAOYSA-N
TotalMolweight	553.469
Molweight	553.469
MonoisotopicMass	552.078965
CLogP	5.9561
CLogS	-7.071
H Acceptors	7
H Donors	1
TotalSurfaceArea	404.33
Relative PSA	0.24114
PolarSurfaceArea	116.57
Druglikeness	4.9422
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide | 2 - (E)-4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

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