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Home > Other Heterocycles > 1517549-00-6
1517549-00-6 | 1,3,7-Triazaspiro[4.5]Decane-2,4-Dione, 3-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)
CAS No: 1517549-00-6 Catalog No: AG019ET2 MDL No:MFCD28992162
Product Description
Catalog Number:
AG019ET2
Chemical Name:
1,3,7-Triazaspiro[4.5]Decane-2,4-Dione, 3-[(4-Methoxyphenyl)Methyl]-, Hydrochloride (1:1)
CAS Number:
1517549-00-6
Molecular Formula:
C15H20ClN3O3
Molecular Weight:
325.7906
MDL Number:
MFCD28992162
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione;hydrochloride
InChI:
InChI=1S/C15H19N3O3.ClH/c1-21-12-5-3-11(4-6-12)9-18-13(19)15(17-14(18)20)7-2-8-16-10-15;/h3-6,16H,2,7-10H2,1H3,(H,17,20);1H
InChI Key:
ITHFEHBSKBWROT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)NC2(C1=O)CCCNC2.Cl
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.793g/mol
Monoisotopic Mass:
325.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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