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1257440-43-9 | Acetamide, N-[5-(3-chlorophenyl)-1,2,4,7-tetrahydro-2,7-dioxopyrazolo[1,5-a]pyrimidin-3-yl]-
CAS No: 1257440-43-9 Catalog No: AG000OL8 MDL No:
Product Description
Catalog Number:
AG000OL8
Chemical Name:
Acetamide, N-[5-(3-chlorophenyl)-1,2,4,7-tetrahydro-2,7-dioxopyrazolo[1,5-a]pyrimidin-3-yl]-
CAS Number:
1257440-43-9
Molecular Formula:
C14H11ClN4O3
Molecular Weight:
318.7151
IUPAC Name:
N-[5-(3-chlorophenyl)-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-3-yl]acetamide
InChI:
InChI=1S/C14H11ClN4O3/c1-7(20)16-12-13-17-10(8-3-2-4-9(15)5-8)6-11(21)19(13)18-14(12)22/h2-6,17H,1H3,(H,16,20)(H,18,22)
InChI Key:
MTHMIUYBZDSMHI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(=O)[nH]n2c1[nH]c(cc2=O)c1cccc(c1)Cl
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.717g/mol
Monoisotopic Mass:
318.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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