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

Formula:C20H19N4OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
MolecularFormula	C20H19N4OBrS
Smiles	O=C(/C=C/c1cnc[nH]1)N(CC1)CCC1c1nc(-c2cccc(Br)c2)cs1
InChI	InChI=1S/C20H19BrN4OS/c21-16-3-1-2-15(10-16)18-12-27-20(24-18)14-6-8-25(9-7-14)19(26)5-4-17-11-22-13-23-17/h1-5,10-14H,6-9H2,(H,22,23)
InChIK	ZLTHAVLNFDRPBY-UHFFFAOYSA-N
TotalMolweight	443.368
Molweight	443.368
MonoisotopicMass	442.046292
CLogP	4.0912
CLogS	-4.299
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.03
Relative PSA	0.2405
PolarSurfaceArea	90.12
Druglikeness	3.2372
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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

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