(2R)-2-(3-bromophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

Formula:C17H10N3O3BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2R)-2-(3-bromophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is a drug-like molecule.

MolName	(2R)-2-(3-bromophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
MolecularFormula	C17H10N3O3BrS2
Smiles	OC(C(N([C@@H]1c2cccc(Br)c2)c2nncs2)=O)=C1C(c1cccs1)=O
InChI	InChI=1S/C17H10BrN3O3S2/c18-10-4-1-3-9(7-10)13-12(14(22)11-5-2-6-25-11)15(23)16(24)21(13)17-20-19-8-26-17/h1-8,13,23H/t13-/m1/s1
InChIK	CXOIVPUIRGLDEC-CYBMUJFWSA-N
TotalMolweight	448.32
Molweight	448.32
MonoisotopicMass	446.934693
CLogP	2.7012
CLogS	-4.571
H Acceptors	6
H Donors	1
TotalSurfaceArea	274.88
Relative PSA	0.3834
PolarSurfaceArea	139.87
Druglikeness	3.6714
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	limit! 4-acyl-3-azoline-2-one-3-ol
Shape Index	0.38462
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	this enantiomer

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