2-[4-[(R)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole

Formula:C27H27N7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(R)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole is a drug-like molecule.

MolName	2-[4-[(R)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole
MolecularFormula	C27H27N7S
Smiles	C(Cn1nnnc1[C@@H](c1ccccc1)N(CC1)CCN1c1nc(cccc2)c2s1)c1ccccc1
InChI	InChI=1S/C27H27N7S/c1-3-9-21(10-4-1)15-16-34-26(29-30-31-34)25(22-11-5-2-6-12-22)32-17-19-33(20-18-32)27-28-23-13-7-8-14-24(23)35-27/h1-14,25H,15-20H2/t25-/m1/s1
InChIK	COOLTDFMEXBNQE-RUZDIDTESA-N
TotalMolweight	481.626
Molweight	481.626
MonoisotopicMass	481.204863
CLogP	4.7538
CLogS	-4.526
H Acceptors	7
TotalSurfaceArea	369.48
Relative PSA	0.21168
PolarSurfaceArea	91.21
Druglikeness	4.7225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	8
Symmetricatoms	6
Amines	1
AlkylAmines	1
Aromatic Nitrogens	5
BasicNitrogens	2
StereoCon	this enantiomer

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1 - 2-[4-[(R)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole | 2 - 2-[4-[(R)-phenyl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole

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