2-cyano-N-[(E)-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]amino]acetamide

Formula:C20H20N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-cyano-N-[(E)-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]amino]acetamide is a drug-like molecule.

MolName	2-cyano-N-[(E)-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]amino]acetamide
MolecularFormula	C20H20N4O3S
Smiles	N#CCC(N/N=C(\c1ccccc1)/c(cc1)ccc1N(CCCC1)S1(=O)=O)=O
InChI	InChI=1S/C20H20N4O3S/c21-13-12-19(25)22-23-20(16-6-2-1-3-7-16)17-8-10-18(11-9-17)24-14-4-5-15-28(24,26)27/h1-3,6-11H,4-5,12,14-15H2,(H,22,25)
InChIK	OURSQWNYAZOOPJ-UHFFFAOYSA-N
TotalMolweight	396.47
Molweight	396.47
MonoisotopicMass	396.125611
CLogP	1.8195
CLogS	-6.56
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.09
Relative PSA	0.27135
PolarSurfaceArea	111.01
Druglikeness	-5.2009
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Amides	1
StereoCon

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