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Home > Other Heterocycles > 1707602-59-2
1707602-59-2 | 2-(3-Methoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
CAS No: 1707602-59-2 Catalog No: AG01F500 MDL No:
Product Description
Catalog Number:
AG01F500
Chemical Name:
2-(3-Methoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
CAS Number:
1707602-59-2
Molecular Formula:
C14H18ClN3O2
Molecular Weight:
295.7646
IUPAC Name:
2-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;hydrochloride
InChI:
InChI=1S/C14H17N3O2.ClH/c1-19-11-4-2-3-10(9-11)12-16-13(18)14(17-12)5-7-15-8-6-14;/h2-4,9,15H,5-8H2,1H3,(H,16,17,18);1H
InChI Key:
LWRMSKCOVSXPPY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1=NC2(C(=O)N1)CCNCC2.Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.109g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.767g/mol
Monoisotopic Mass:
295.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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