2-(azepan-1-yl)-2-oxo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide

Formula:C26H27N3O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-(azepan-1-yl)-2-oxo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(azepan-1-yl)-2-oxo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
MolecularFormula	C26H27N3O3
Smiles	O=C(C(N1CCCCCC1)=O)N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1
InChI	InChI=1S/C26H27N3O3/c30-25(26(31)29-16-8-1-2-9-17-29)28-27-18-23-22-13-7-6-12-21(22)14-15-24(23)32-19-20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17,19H2,(H,28,30)
InChIK	LEFRHADAKJWKFJ-UHFFFAOYSA-N
TotalMolweight	429.518
Molweight	429.518
MonoisotopicMass	429.205242
CLogP	4.7192
CLogS	-5.829
H Acceptors	6
H Donors	1
TotalSurfaceArea	342.46
Relative PSA	0.1828
PolarSurfaceArea	71
Druglikeness	0.73308
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	5
Amides	1
StereoCon

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