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Home > Other Heterocycles > 1017789-30-8
1017789-30-8 | 1,3,8-Triazaspiro[4.5]dec-1-en-4-one, 8-(phenylmethyl)-
CAS No: 1017789-30-8 Catalog No: AG0005KE MDL No:
Product Description
Catalog Number:
AG0005KE
Chemical Name:
1,3,8-Triazaspiro[4.5]dec-1-en-4-one, 8-(phenylmethyl)-
CAS Number:
1017789-30-8
Molecular Formula:
C14H17N3O
Molecular Weight:
243.3043
IUPAC Name:
8-benzyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
InChI:
InChI=1S/C14H17N3O/c18-13-14(16-11-15-13)6-8-17(9-7-14)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16,18)
InChI Key:
KHRPQBDFNGEGGO-UHFFFAOYSA-N
SMILES:
O=C1NC=NC21CCN(CC2)Cc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.31g/mol
Monoisotopic Mass:
243.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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