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Home > Other Heterocycles > 131365-80-5
131365-80-5 | 4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidine]-5'-one
CAS No: 131365-80-5 Catalog No: AG00IMS2 MDL No:MFCD00167917
Product Description
Catalog Number:
AG00IMS2
Chemical Name:
4'-phenylspiro[adamantane-2,2'-[1,3,4]triazolidine]-5'-one
CAS Number:
131365-80-5
Molecular Formula:
C17H21N3O
Molecular Weight:
283.3681
MDL Number:
MFCD00167917
IUPAC Name:
2-phenylspiro[1,2,4-triazolidine-5,2'-adamantane]-3-one
InChI:
InChI=1S/C17H21N3O/c21-16-18-17(19-20(16)15-4-2-1-3-5-15)13-7-11-6-12(9-13)10-14(17)8-11/h1-5,11-14,19H,6-10H2,(H,18,21)
InChI Key:
LBTDMALBMKPBED-UHFFFAOYSA-N
SMILES:
O=C1NC2(NN1c1ccccc1)C1CC3CC2CC(C1)C3
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.168g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.375g/mol
Monoisotopic Mass:
283.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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