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

Formula:C27H23N4O3BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-4-[4-[4-(3-bromophenyl)-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-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide
MolecularFormula	C27H23N4O3BrS
Smiles	O=C(/C=C/C(N(CC1)CCC1c1nc(-c2cccc(Br)c2)cs1)=O)Nc(cc1)ccc1-c1cnco1
InChI	InChI=1S/C27H23BrN4O3S/c28-21-3-1-2-20(14-21)23-16-36-27(31-23)19-10-12-32(13-11-19)26(34)9-8-25(33)30-22-6-4-18(5-7-22)24-15-29-17-35-24/h1-9,14-17,19H,10-13H2,(H,30,33)
InChIK	BGGMDYYWKWAUHA-UHFFFAOYSA-N
TotalMolweight	563.475
Molweight	563.475
MonoisotopicMass	562.067422
CLogP	5.4693
CLogS	-6.433
H Acceptors	7
H Donors	1
TotalSurfaceArea	392.12
Relative PSA	0.24865
PolarSurfaceArea	116.57
Druglikeness	3.1066
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
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-bromophenyl)-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-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxobut-2-enamide

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