(3R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Formula:C18H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.

MolName	(3R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MolecularFormula	C18H16N2O5
Smiles	O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c(cc1)cc2c1OCCO2
InChI	InChI=1S/C18H16N2O5/c21-18(17-11-24-13-3-1-2-4-15(13)25-17)20-19-10-12-5-6-14-16(9-12)23-8-7-22-14/h1-6,9-10,17H,7-8,11H2,(H,20,21)/t17-/m1/s1
InChIK	FBXLWFSKPKBYNW-QGZVFWFLSA-N
TotalMolweight	340.334
Molweight	340.334
MonoisotopicMass	340.105923
CLogP	2.7225
CLogS	-3.925
H Acceptors	7
H Donors	1
TotalSurfaceArea	253.77
Relative PSA	0.29952
PolarSurfaceArea	78.38
Druglikeness	-1.9594
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	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
StereoCon	this enantiomer

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1 - (3R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

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