(8aS)-2-[(R)-(3-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Formula:C23H27N6F Mutagenic:none Tumorigenic:none Reproductive Effective:none (8aS)-2-[(R)-(3-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is a drug-like molecule.

MolName	(8aS)-2-[(R)-(3-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
MolecularFormula	C23H27N6F
Smiles	Fc1cc([C@H](c2nnnn2CCc2ccccc2)N2C[C@H](CCC3)N3CC2)ccc1
InChI	InChI=1S/C23H27FN6/c24-20-9-4-8-19(16-20)22(29-15-14-28-12-5-10-21(28)17-29)23-25-26-27-30(23)13-11-18-6-2-1-3-7-18/h1-4,6-9,16,21-22H,5,10-15,17H2/t21-,22+/m0/s1
InChIK	ZCBOEVSHBCJLLB-FCHUYYIVSA-N
TotalMolweight	406.507
Molweight	406.507
MonoisotopicMass	406.228122
CLogP	3.0867
CLogS	-2.792
H Acceptors	6
TotalSurfaceArea	313.29
Relative PSA	0.14964
PolarSurfaceArea	50.08
Druglikeness	2.7157
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	12
Symmetricatoms	2
Amines	2
AlkylAmines	2
Aromatic Nitrogens	4
BasicNitrogens	2
StereoCon	this enantiomer

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1 - (8aS)-2-[(R)-(3-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine | 2 - (8aS)-2-[(R)-(3-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

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