N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

Formula:C15H14N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
MolecularFormula	C15H14N6O3S
Smiles	O=C(CSc1ncn[nH]1)NC(N(Cc1ccccc1)C(N1)=O)=CC1=O
InChI	InChI=1S/C15H14N6O3S/c22-12-6-11(18-13(23)8-25-14-16-9-17-20-14)21(15(24)19-12)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H,18,23)(H,16,17,20)(H,19,22,24)
InChIK	KOPGYHGVKVIZSJ-UHFFFAOYSA-N
TotalMolweight	358.381
Molweight	358.381
MonoisotopicMass	358.084809
CLogP	0.4989
CLogS	-3.909
H Acceptors	9
H Donors	3
TotalSurfaceArea	262.8
Relative PSA	0.45285
PolarSurfaceArea	145.38
Druglikeness	4.5745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	3
StereoCon

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