6-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Formula:C22H19N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C22H19N5O2S
Smiles	O=C(C=C(Cc(n1-c2ccccc2)nnc1SC/C=C/c1ccccc1)N1)NC1=O
InChI	InChI=1S/C22H19N5O2S/c28-20-15-17(23-21(29)24-20)14-19-25-26-22(27(19)18-11-5-2-6-12-18)30-13-7-10-16-8-3-1-4-9-16/h1-12,15H,13-14H2,(H2,23,24,28,29)
InChIK	LBDIJGFKEXVFGS-UHFFFAOYSA-N
TotalMolweight	417.492
Molweight	417.492
MonoisotopicMass	417.125945
CLogP	3.1809
CLogS	-6.555
H Acceptors	7
H Donors	2
TotalSurfaceArea	320.64
Relative PSA	0.29722
PolarSurfaceArea	114.21
Druglikeness	3.0651
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon

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