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MLS000764761,ZINC00919994,ASN 04248502,SMR000290366,T5732517,1-(4-Meth

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摘 要:MLS000764761,ZINC00919994,ASN 04248502,SMR000290366,T5732517,1-(4-Methyl-piperidin-1-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone, 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone,Canonical SMILES: CC1CCN(CC1)C(=O)CN2N=C(N=N2)C3=
[Synonyms]
MLS000764761
ZINC00919994
ASN 04248502
SMR000290366
T5732517
1-(4-Methyl-piperidin-1-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone

[Structure]
MLS000764761,ZINC00919994,ASN 04248502,SMR000290366,T5732517,1-(4-Meth

[ Properties Computed from Structure]
Molecular Weight291.37198 [g/mol]
Molecular FormulaC13H17N5OS
XLogP1.9
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count3
Exact Mass291.115381
MonoIsotopic Mass291.115381
Topological Polar Surface Area63.9
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
Canonical SMILES: CC1CCN(CC1)C(=O)CN2N=C(N=N2)C3=CC=CS3
InChI: InChI=1/C13H17N5OS/c1-10-4-6-17(7-5-10)12(19)9-18-15-13(14-16-18)11-3-2-
8-20-11/h2-3,8,10H,4-7,9H2,1H3

 
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