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478259-63-1 | 4-butanoyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 478259-63-1 Catalog No: AG00ISGG MDL No:MFCD02571074
Product Description
Catalog Number:
AG00ISGG
Chemical Name:
4-butanoyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
478259-63-1
Molecular Formula:
C15H20N4O2
Molecular Weight:
288.3449
MDL Number:
MFCD02571074
IUPAC Name:
4-butanoyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C15H20N4O2/c1-2-4-14(20)12-9-13(18-10-12)15(21)17-5-3-7-19-8-6-16-11-19/h6,8-11,18H,2-5,7H2,1H3,(H,17,21)
InChI Key:
RXIJUCNUOHSHSN-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.159g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.351g/mol
Monoisotopic Mass:
288.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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