N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Formula:C18H18N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
MolecularFormula	C18H18N2O3S
Smiles	O=C(c1cc(CCCC2)c2s1)N/N=C\c(cc1)cc2c1OCCO2
InChI	InChI=1S/C18H18N2O3S/c21-18(17-10-13-3-1-2-4-16(13)24-17)20-19-11-12-5-6-14-15(9-12)23-8-7-22-14/h5-6,9-11H,1-4,7-8H2,(H,20,21)
InChIK	MKNRHHONTBNIOM-UHFFFAOYSA-N
TotalMolweight	342.418
Molweight	342.418
MonoisotopicMass	342.103813
CLogP	4.286
CLogS	-5.115
H Acceptors	5
H Donors	1
TotalSurfaceArea	258.49
Relative PSA	0.29545
PolarSurfaceArea	88.16
Druglikeness	-6.2424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
StereoCon

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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

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