(E)-N-[[[2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C19H13N7O2F6S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C19H13N7O2F6S2
Smiles	O=C(Cn1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C19H13F6N7O2S2/c20-18(21,22)11-6-10(7-12(8-11)19(23,24)25)16-28-31-32(30-16)9-15(34)27-29-17(35)26-14(33)4-3-13-2-1-5-36-13/h1-8H,9H2,(H,27,34)(H2,26,29,33,35)
InChIK	BLEAHJWEUQJWPD-UHFFFAOYSA-N
TotalMolweight	549.479
Molweight	549.479
MonoisotopicMass	549.047631
CLogP	3.0037
CLogS	-5.859
H Acceptors	9
H Donors	3
TotalSurfaceArea	375.97
Relative PSA	0.39524
PolarSurfaceArea	174.16
Druglikeness	-7.2162
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	17
Electronegative Atoms	17
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-N-[[[2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[[2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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