2-[2-chloro-4-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide

Formula:C19H14N3O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-chloro-4-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.

MolName	2-[2-chloro-4-[(Z)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide
MolecularFormula	C19H14N3O4ClS
Smiles	NC(COc(ccc(/C=C(/C(NC(N1c2ccccc2)=S)=O)\C1=O)c1)c1Cl)=O
InChI	InChI=1S/C19H14ClN3O4S/c20-14-9-11(6-7-15(14)27-10-16(21)24)8-13-17(25)22-19(28)23(18(13)26)12-4-2-1-3-5-12/h1-9H,10H2,(H2,21,24)(H,22,25,28)
InChIK	ILDZWIWKEXKYQI-UHFFFAOYSA-N
TotalMolweight	415.856
Molweight	415.856
MonoisotopicMass	415.039354
CLogP	1.7841
CLogS	-4.576
H Acceptors	7
H Donors	2
TotalSurfaceArea	299.65
Relative PSA	0.35842
PolarSurfaceArea	133.82
Druglikeness	4.1153
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	3
StereoCon

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