(2Z)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

Formula:C21H25N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (2Z)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is a drug-like molecule.

MolName	(2Z)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
MolecularFormula	C21H25N3O3
Smiles	O=C(COc1c(/C=C2\N=C(CCCCC3)N3C2=O)cccc1)N1CCCC1
InChI	InChI=1S/C21H25N3O3/c25-20(23-11-6-7-12-23)15-27-18-9-4-3-8-16(18)14-17-21(26)24-13-5-1-2-10-19(24)22-17/h3-4,8-9,14H,1-2,5-7,10-13,15H2
InChIK	KWYTVYNDRBEKIV-UHFFFAOYSA-N
TotalMolweight	367.448
Molweight	367.448
MonoisotopicMass	367.189592
CLogP	2.2429
CLogS	-3.286
H Acceptors	6
TotalSurfaceArea	284.14
Relative PSA	0.19248
PolarSurfaceArea	62.21
Druglikeness	0.69921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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1 - (2Z)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one | 2 - (2Z)-2-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

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