(E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Formula:C23H21N2O3BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
MolecularFormula	C23H21N2O3BrS2
Smiles	O=C(/C=C/c1cc(Br)cs1)N(CC1)CCC1c1nc(-c(cc2)cc3c2OCCO3)cs1
InChI	InChI=1S/C23H21BrN2O3S2/c24-17-12-18(30-13-17)2-4-22(27)26-7-5-15(6-8-26)23-25-19(14-31-23)16-1-3-20-21(11-16)29-10-9-28-20/h1-4,11-15H,5-10H2
InChIK	VKXKGFGEDBTSBJ-UHFFFAOYSA-N
TotalMolweight	517.467
Molweight	517.467
MonoisotopicMass	516.017694
CLogP	5.7224
CLogS	-5.652
H Acceptors	5
TotalSurfaceArea	344.66
Relative PSA	0.25614
PolarSurfaceArea	108.14
Druglikeness	-7.7441
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one | 2 - (E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

Request More Details | (E)-3-(4-bromothiophen-2-yl)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments