2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Formula:C20H14N4ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.

MolName	2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
MolecularFormula	C20H14N4ClFS
Smiles	Fc1cccc(Cl)c1CSc1nn2c(/C=C/c3ccccc3)ccnc2n1
InChI	InChI=1S/C20H14ClFN4S/c21-17-7-4-8-18(22)16(17)13-27-20-24-19-23-12-11-15(26(19)25-20)10-9-14-5-2-1-3-6-14/h1-12H,13H2
InChIK	MGURGFRHUAWJOR-UHFFFAOYSA-N
TotalMolweight	396.876
Molweight	396.876
MonoisotopicMass	396.061171
CLogP	4.4306
CLogS	-4.74
H Acceptors	4
TotalSurfaceArea	293.83
Relative PSA	0.19858
PolarSurfaceArea	68.38
Druglikeness	2.9193
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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1 - 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | 2 - 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

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