N-[(E)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C23H26N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C23H26N2O3
Smiles	COc1ccc(/C=C(\C(N2CCCCCC2)=O)/NC(c2ccccc2)=O)cc1
InChI	InChI=1S/C23H26N2O3/c1-28-20-13-11-18(12-14-20)17-21(23(27)25-15-7-2-3-8-16-25)24-22(26)19-9-5-4-6-10-19/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,24,26)/b21-17+
InChIK	KGPWGAKMGKBZQY-HEHNFIMWSA-N
TotalMolweight	378.47
Molweight	378.47
MonoisotopicMass	378.194343
CLogP	4.3866
CLogS	-4.248
H Acceptors	5
H Donors	1
TotalSurfaceArea	306.31
Relative PSA	0.16679
PolarSurfaceArea	58.64
Druglikeness	1.1463
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	7
Amides	2
StereoCon

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