methyl (6S,7S)-7-(3-fluorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Formula:C14H13N4O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl (6S,7S)-7-(3-fluorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is a drug-like molecule.

MolName	methyl (6S,7S)-7-(3-fluorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
MolecularFormula	C14H13N4O2F
Smiles	COC([C@@H]([C@@H](c1cccc(F)c1)n1ncnc1N1)C1=C)=O
InChI	InChI=1S/C14H13FN4O2/c1-8-11(13(20)21-2)12(9-4-3-5-10(15)6-9)19-14(18-8)16-7-17-19/h3-7,11-12H,1H2,2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIK	POBZUBAVJHEKCZ-VXGBXAGGSA-N
TotalMolweight	288.281
Molweight	288.281
MonoisotopicMass	288.102254
CLogP	1.5738
CLogS	-4.6
H Acceptors	6
H Donors	1
TotalSurfaceArea	211.81
Relative PSA	0.2989
PolarSurfaceArea	69.04
Druglikeness	-2.2029
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon	this enantiomer

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1 - methyl (6S,7S)-7-(3-fluorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | 2 - methyl (6S,7S)-7-(3-fluorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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