(E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Formula:C22H15N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C22H15N4O2ClS
Smiles	O=C(/C=C/c1ccccc1)NC(Nc(cc1)cc(-c2nc(nccc3)c3o2)c1Cl)=S
InChI	InChI=1S/C22H15ClN4O2S/c23-17-10-9-15(13-16(17)21-27-20-18(29-21)7-4-12-24-20)25-22(30)26-19(28)11-8-14-5-2-1-3-6-14/h1-13H,(H2,25,26,28,30)
InChIK	CSMSOGRLQDMNMR-UHFFFAOYSA-N
TotalMolweight	434.906
Molweight	434.906
MonoisotopicMass	434.060423
CLogP	4.8615
CLogS	-7.819
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.89
Relative PSA	0.30316
PolarSurfaceArea	112.14
Druglikeness	-0.097472
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

Request More Details | (E)-N-[[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments