4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

Formula:C32H29N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.

MolName	4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
MolecularFormula	C32H29N4O3F
Smiles	O=C(COc1ccc(/C=N\NC(c2ccc(CN(CC3)Cc4c3cccc4)cc2)=O)cc1)Nc(cc1)ccc1F
InChI	InChI=1S/C32H29FN4O3/c33-28-11-13-29(14-12-28)35-31(38)22-40-30-15-7-23(8-16-30)19-34-36-32(39)26-9-5-24(6-10-26)20-37-18-17-25-3-1-2-4-27(25)21-37/h1-16,19H,17-18,20-22H2,(H,35,38)(H,36,39)
InChIK	QDPFZNGZBCGBMF-UHFFFAOYSA-N
TotalMolweight	536.605
Molweight	536.605
MonoisotopicMass	536.222369
CLogP	5.1616
CLogS	-6.513
H Acceptors	7
H Donors	2
TotalSurfaceArea	417.67
Relative PSA	0.17732
PolarSurfaceArea	83.03
Druglikeness	5.1652
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	7
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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1 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide | 2 - 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

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