(E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid

Formula:C26H20N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid is a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid
MolecularFormula	C26H20N4O2S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C\c1cn(Cc2ccccc2)nc1-c1cnccc1)=O
InChI	InChI=1S/C26H20N4O2S/c31-24(32)14-20(26-28-22-10-4-5-11-23(22)33-26)13-21-17-30(16-18-7-2-1-3-8-18)29-25(21)19-9-6-12-27-15-19/h1-13,15,17H,14,16H2,(H,31,32)
InChIK	XOYUIDYSYLRROV-UHFFFAOYSA-N
TotalMolweight	452.537
Molweight	452.537
MonoisotopicMass	452.130696
CLogP	3.4414
CLogS	-4.03
H Acceptors	6
H Donors	1
TotalSurfaceArea	344.89
Relative PSA	0.25017
PolarSurfaceArea	109.14
Druglikeness	4.5209
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid | 2 - (E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid

Request More Details | (E)-3-(1,3-benzothiazol-2-yl)-4-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)but-3-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments