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

Formula:C22H18N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[4-(4-chlorophenyl)-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-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C22H18N5O2ClS
Smiles	O=C(C=C(Cc(n1-c(cc2)ccc2Cl)nnc1SC/C=C/c1ccccc1)N1)NC1=O
InChI	InChI=1S/C22H18ClN5O2S/c23-16-8-10-18(11-9-16)28-19(13-17-14-20(29)25-21(30)24-17)26-27-22(28)31-12-4-7-15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H2,24,25,29,30)
InChIK	RVBWXCDHIGRIRP-UHFFFAOYSA-N
TotalMolweight	451.937
Molweight	451.937
MonoisotopicMass	451.086972
CLogP	3.7869
CLogS	-7.291
H Acceptors	7
H Donors	2
TotalSurfaceArea	336.06
Relative PSA	0.28358
PolarSurfaceArea	114.21
Druglikeness	3.1259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
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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