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

Formula:C22H20N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C22H20N4O4S
Smiles	O=C(c(cc1)cc2c1OCO2)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1
InChI	InChI=1S/C22H20N4O4S/c27-21(16-6-7-17-18(12-16)30-14-29-17)25-23-13-19-20(15-4-2-1-3-5-15)24-22(31-19)26-8-10-28-11-9-26/h1-7,12-13H,8-11,14H2,(H,25,27)
InChIK	KFGZUQSGEWYKMO-UHFFFAOYSA-N
TotalMolweight	436.491
Molweight	436.491
MonoisotopicMass	436.120526
CLogP	4.4397
CLogS	-6.156
H Acceptors	8
H Donors	1
TotalSurfaceArea	323.55
Relative PSA	0.31182
PolarSurfaceArea	113.52
Druglikeness	6.1218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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