(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

Formula:C21H19N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
MolecularFormula	C21H19N3O3S
Smiles	O/C(/c1ccccc1)=C(\[C@H](c1cccs1)N(CCCn1cncc1)C1=O)/C1=O
InChI	InChI=1S/C21H19N3O3S/c25-19(15-6-2-1-3-7-15)17-18(16-8-4-13-28-16)24(21(27)20(17)26)11-5-10-23-12-9-22-14-23/h1-4,6-9,12-14,18,25H,5,10-11H2/t18-/m0/s1
InChIK	CPEHGWGALIZBBU-SFHVURJKSA-N
TotalMolweight	393.466
Molweight	393.466
MonoisotopicMass	393.114712
CLogP	1.8978
CLogS	-1.843
H Acceptors	6
H Donors	1
TotalSurfaceArea	292.03
Relative PSA	0.27713
PolarSurfaceArea	103.67
Druglikeness	3.5083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione | 2 - (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

Request More Details | (4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments