2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

Formula:C23H19N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
MolecularFormula	C23H19N5O3S
Smiles	O=C(CNc(cc1)cc2c1OCO2)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C23H19N5O3S/c29-22(13-24-17-8-9-19-20(11-17)31-15-30-19)26-25-12-16-14-28(18-5-2-1-3-6-18)27-23(16)21-7-4-10-32-21/h1-12,14,24H,13,15H2,(H,26,29)
InChIK	DGNQTZWHEDELOI-UHFFFAOYSA-N
TotalMolweight	445.502
Molweight	445.502
MonoisotopicMass	445.12086
CLogP	3.5474
CLogS	-5.688
H Acceptors	8
H Donors	2
TotalSurfaceArea	335.89
Relative PSA	0.3146
PolarSurfaceArea	118.01
Druglikeness	7.6476
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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1 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide

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