N-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide

Formula:C22H18N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide is a drug-like molecule.

MolName	N-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide
MolecularFormula	C22H18N4O5S
Smiles	O=C(COc1cccc2cccnc12)N/N=C(\N1Cc(cc2)cc3c2OCO3)/SCC1=O
InChI	InChI=1S/C22H18N4O5S/c27-19(11-29-17-5-1-3-15-4-2-8-23-21(15)17)24-25-22-26(20(28)12-32-22)10-14-6-7-16-18(9-14)31-13-30-16/h1-9H,10-13H2,(H,24,27)
InChIK	PGJVOGHMDUPWSH-UHFFFAOYSA-N
TotalMolweight	450.474
Molweight	450.474
MonoisotopicMass	450.099791
CLogP	2.658
CLogS	-5.258
H Acceptors	9
H Donors	1
TotalSurfaceArea	322.14
Relative PSA	0.34476
PolarSurfaceArea	127.65
Druglikeness	5.4992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - N-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide | 2 - N-[(E)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-quinolin-8-yloxyacetamide

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