2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

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

MolName	2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C20H19N2O4ClS
Smiles	O=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1ccccc1)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C20H19ClN2O4S/c21-17-9-5-4-8-16(17)19(24)23-18(12-14-6-2-1-3-7-14)20(25)22-15-10-11-28(26,27)13-15/h1-9,12,15H,10-11,13H2,(H,22,25)(H,23,24)/t15-/m0/s1
InChIK	IJOMDSWOWLJFPN-HNNXBMFYSA-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	0.13797
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	3
Amides	2
StereoCon	racemate

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1 - 2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - 2-chloro-N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

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