N-[(E)-1-(4-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-en-2-yl]benzamide

Formula:C20H19N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H19N2O4ClS
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C20H19ClN2O4S/c21-16-8-6-14(7-9-16)12-18(23-19(24)15-4-2-1-3-5-15)20(25)22-17-10-11-28(26,27)13-17/h1-9,12,17H,10-11,13H2,(H,22,25)(H,23,24)/t17-/m0/s1
InChIK	LYDCBEQLEQDMED-KRWDZBQOSA-N
TotalMolweight	418.9
Molweight	418.9
MonoisotopicMass	418.075405
CLogP	2.6848
CLogS	-4.646
H Acceptors	6
H Donors	2
TotalSurfaceArea	300.43
Relative PSA	0.25823
PolarSurfaceArea	100.72
Druglikeness	1.6419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	5
Amides	2
StereoCon	racemate

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