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160595-32-4 | Acetamide, N-[3-(benzoyloxy)-2,3,5,8-tetrahydro-5-imino-7-methyl-8-oxo-1H-pyrrolo[1,2-a]benzimidazol-6-yl]-
CAS No: 160595-32-4 Catalog No: AG001S21 MDL No:
Product Description
Catalog Number:
AG001S21
Chemical Name:
Acetamide, N-[3-(benzoyloxy)-2,3,5,8-tetrahydro-5-imino-7-methyl-8-oxo-1H-pyrrolo[1,2-a]benzimidazol-6-yl]-
CAS Number:
160595-32-4
Molecular Formula:
C20H18N4O4
Molecular Weight:
378.3813
IUPAC Name:
(6-acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) benzoate
InChI:
InChI=1S/C20H18N4O4/c1-10-15(22-11(2)25)14(21)16-17(18(10)26)24-9-8-13(19(24)23-16)28-20(27)12-6-4-3-5-7-12/h3-7,13,21H,8-9H2,1-2H3,(H,22,25)
InChI Key:
LINVEZGIQLALNN-UHFFFAOYSA-N
SMILES:
CC(=O)NC1=C(C)C(=O)c2c(C1=N)nc1n2CCC1OC(=O)c1ccccc1
NSC Number:
658421
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.133g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.388g/mol
Monoisotopic Mass:
378.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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