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131194-26-8 | 2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-[(1Z)-2-phenylethenyl]-6-(phenylthio)-
CAS No: 131194-26-8 Catalog No: AG000VPE MDL No:
Product Description
Catalog Number:
AG000VPE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-[(1Z)-2-phenylethenyl]-6-(phenylthio)-
CAS Number:
131194-26-8
Molecular Formula:
C21H20N2O4S
Molecular Weight:
396.4595
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-(2-phenylethenyl)-6-phenylsulfanylpyrimidine-2,4-dione
InChI:
InChI=1S/C21H20N2O4S/c24-13-14-27-15-23-20(28-17-9-5-2-6-10-17)18(19(25)22-21(23)26)12-11-16-7-3-1-4-8-16/h1-12,24H,13-15H2,(H,22,25,26)
InChI Key:
MARXYUXLVABKCN-UHFFFAOYSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1Sc1ccccc1)/C=C\c1ccccc1
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.114g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.461g/mol
Monoisotopic Mass:
396.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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