N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Formula:C21H22N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-3-(azepan-1-yl)-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
MolecularFormula	C21H22N2O5
Smiles	O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)N1CCCCCC1
InChI	InChI=1S/C21H22N2O5/c24-20(18-6-5-11-26-18)22-16(21(25)23-9-3-1-2-4-10-23)12-15-7-8-17-19(13-15)28-14-27-17/h5-8,11-13H,1-4,9-10,14H2,(H,22,24)
InChIK	YCTRGWMAEWQKJD-UHFFFAOYSA-N
TotalMolweight	382.415
Molweight	382.415
MonoisotopicMass	382.152873
CLogP	3.7567
CLogS	-4.623
H Acceptors	7
H Donors	1
TotalSurfaceArea	294
Relative PSA	0.25578
PolarSurfaceArea	81.01
Druglikeness	0.9125
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	3
Amides	2
StereoCon

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