(E)-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C20H13N4O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C20H13N4O3BrS
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)cc2c1oc(-c1cc(Br)cnc1)n2)=S
InChI	InChI=1S/C20H13BrN4O3S/c21-13-8-12(10-22-11-13)19-24-16-9-14(3-5-17(16)28-19)23-20(29)25-18(26)6-4-15-2-1-7-27-15/h1-11H,(H2,23,25,26,29)
InChIK	BLJSVJRLJMINKB-UHFFFAOYSA-N
TotalMolweight	469.318
Molweight	469.318
MonoisotopicMass	467.989172
CLogP	3.8865
CLogS	-6.754
H Acceptors	7
H Donors	2
TotalSurfaceArea	322.79
Relative PSA	0.35354
PolarSurfaceArea	125.28
Druglikeness	-1.8583
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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