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Home > Other Heterocycles > 28863-87-8
28863-87-8 | 1,3,7-Triazaspiro[4.4]nonane-2,4-dione, 7-(phenylmethyl)-
CAS No: 28863-87-8 Catalog No: AG002WWC MDL No:MFCD13196848
Product Description
Catalog Number:
AG002WWC
Chemical Name:
1,3,7-Triazaspiro[4.4]nonane-2,4-dione, 7-(phenylmethyl)-
CAS Number:
28863-87-8
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD13196848
IUPAC Name:
7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
InChI:
InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)
InChI Key:
RZHBDUGHJGKVFY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(N1)CCN(C2)Cc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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