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Home > Imidazoles > 691873-17-3
691873-17-3 | 1,5-dimethyl-3-[(4-methylbenzenesulfonyl)methyl]-4-phenylimidazolidin-2-one
CAS No: 691873-17-3 Catalog No: AG00IRA8 MDL No:MFCD03102578
Product Description
Catalog Number:
AG00IRA8
Chemical Name:
1,5-dimethyl-3-[(4-methylbenzenesulfonyl)methyl]-4-phenylimidazolidin-2-one
CAS Number:
691873-17-3
Molecular Formula:
C19H22N2O3S
Molecular Weight:
358.4546
MDL Number:
MFCD03102578
IUPAC Name:
1,5-dimethyl-3-[(4-methylphenyl)sulfonylmethyl]-4-phenylimidazolidin-2-one
InChI:
InChI=1S/C19H22N2O3S/c1-14-9-11-17(12-10-14)25(23,24)13-21-18(15(2)20(3)19(21)22)16-7-5-4-6-8-16/h4-12,15,18H,13H2,1-3H3
InChI Key:
NMXZXUYRZOVHSB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CN1C(c2ccccc2)C(N(C1=O)C)C
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.135g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.456g/mol
Monoisotopic Mass:
358.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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