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Home > Other Heterocycles > 131365-81-6
131365-81-6 | 4'-phenyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-[1,3,4]triazolidine]-5'-one
CAS No: 131365-81-6 Catalog No: AG00IPDH MDL No:MFCD00140495
Product Description
Catalog Number:
AG00IPDH
Chemical Name:
4'-phenyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-[1,3,4]triazolidine]-5'-one
CAS Number:
131365-81-6
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
MDL Number:
MFCD00140495
IUPAC Name:
2-phenylspiro[1,2,4-triazolidine-5,4'-2,3-dihydro-1H-naphthalene]-3-one
InChI:
InChI=1S/C17H17N3O/c21-16-18-17(19-20(16)14-9-2-1-3-10-14)12-6-8-13-7-4-5-11-15(13)17/h1-5,7,9-11,19H,6,8,12H2,(H,18,21)
InChI Key:
MHHZJYPMFYYVLT-UHFFFAOYSA-N
SMILES:
O=C1NC2(NN1c1ccccc1)CCCc1c2cccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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