(3R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Formula:C19H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.

MolName	(3R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
MolecularFormula	C19H16N2O5
Smiles	O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\C=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H16N2O5/c22-19(18-11-23-14-5-1-2-6-16(14)26-18)21-20-9-3-4-13-7-8-15-17(10-13)25-12-24-15/h1-10,18H,11-12H2,(H,21,22)/t18-/m1/s1
InChIK	HFDXFUZRSIKREF-GOSISDBHSA-N
TotalMolweight	352.345
Molweight	352.345
MonoisotopicMass	352.105923
CLogP	2.8734
CLogS	-4.746
H Acceptors	7
H Donors	1
TotalSurfaceArea	266.51
Relative PSA	0.28521
PolarSurfaceArea	78.38
Druglikeness	4.9746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
StereoCon	this enantiomer

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1 - (3R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

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