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7494-26-0 | Benzoic acid,4-[3-(2-hydroxyethyl)-2-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-1-imidazolidinyl]-,ethyl ester
CAS No: 7494-26-0 Catalog No: AG008OJW MDL No:
Product Description
Catalog Number:
AG008OJW
Chemical Name:
Benzoic acid,4-[3-(2-hydroxyethyl)-2-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-1-imidazolidinyl]-,ethyl ester
CAS Number:
7494-26-0
Molecular Formula:
C18H22N4O5
Molecular Weight:
374.3911
IUPAC Name:
ethyl 4-[2-(2,4-dioxo-1H-pyrimidin-5-yl)-3-(2-hydroxyethyl)imidazolidin-1-yl]benzoate
InChI:
InChI=1S/C18H22N4O5/c1-2-27-17(25)12-3-5-13(6-4-12)22-8-7-21(9-10-23)16(22)14-11-19-18(26)20-15(14)24/h3-6,11,16,23H,2,7-10H2,1H3,(H2,19,20,24,26)
InChI Key:
UUNFPNAGDDTWGH-UHFFFAOYSA-N
SMILES:
OCCN1CCN(C1c1c[nH]c(=O)[nH]c1=O)c1ccc(cc1)C(=O)OCC
NSC Number:
98934
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
374.397g/mol
Monoisotopic Mass:
374.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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