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87411-21-0 | Piperidine, 1-[5-(4-phenylbutyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 87411-21-0 Catalog No: AG004GEU MDL No:
Product Description
Catalog Number:
AG004GEU
Chemical Name:
Piperidine, 1-[5-(4-phenylbutyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
87411-21-0
Molecular Formula:
C17H23N3S
Molecular Weight:
301.4496
IUPAC Name:
2-(4-phenylbutyl)-5-piperidin-1-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C17H23N3S/c1-3-9-15(10-4-1)11-5-6-12-16-18-19-17(21-16)20-13-7-2-8-14-20/h1,3-4,9-10H,2,5-8,11-14H2
InChI Key:
DNDODQDEINJLNY-UHFFFAOYSA-N
SMILES:
C(Cc1nnc(s1)N1CCCCC1)CCc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.161g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.452g/mol
Monoisotopic Mass:
301.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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