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478247-79-9 | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-hydroxy-1,2-dihydropyridin-2-one
CAS No: 478247-79-9 Catalog No: AG00IW2T MDL No:MFCD01871747
Product Description
Catalog Number:
AG00IW2T
Chemical Name:
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-hydroxy-1,2-dihydropyridin-2-one
CAS Number:
478247-79-9
Molecular Formula:
C20H17NO4
Molecular Weight:
335.3533
MDL Number:
MFCD01871747
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-4-hydroxypyridin-2-one
InChI:
InChI=1S/C20H17NO4/c22-17-8-9-21(12-15-6-7-18-19(11-15)25-13-24-18)20(23)16(17)10-14-4-2-1-3-5-14/h1-9,11,22H,10,12-13H2
InChI Key:
HRFKBEFEAUPROH-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1Cc1ccccc1)Cc1ccc2c(c1)OCO2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.359g/mol
Monoisotopic Mass:
335.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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