N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Formula:C17H17N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C17H17N3O4S
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C\c1ccc(N2CCOCC2)s1
InChI	InChI=1S/C17H17N3O4S/c21-17(12-1-3-14-15(9-12)24-11-23-14)19-18-10-13-2-4-16(25-13)20-5-7-22-8-6-20/h1-4,9-10H,5-8,11H2,(H,19,21)
InChIK	ODMVBGDVIZHMOM-UHFFFAOYSA-N
TotalMolweight	359.405
Molweight	359.405
MonoisotopicMass	359.093977
CLogP	3.0382
CLogS	-4.695
H Acceptors	7
H Donors	1
TotalSurfaceArea	265.03
Relative PSA	0.33928
PolarSurfaceArea	100.63
Druglikeness	6.2506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
StereoCon

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