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478259-50-6 | N-[3-(1H-imidazol-1-yl)propyl]-4-propanoyl-1H-pyrrole-2-carboxamide
CAS No: 478259-50-6 Catalog No: AG00IYZW MDL No:MFCD02571061
Product Description
Catalog Number:
AG00IYZW
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-4-propanoyl-1H-pyrrole-2-carboxamide
CAS Number:
478259-50-6
Molecular Formula:
C14H18N4O2
Molecular Weight:
274.3183
MDL Number:
MFCD02571061
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C14H18N4O2/c1-2-13(19)11-8-12(17-9-11)14(20)16-4-3-6-18-7-5-15-10-18/h5,7-10,17H,2-4,6H2,1H3,(H,16,20)
InChI Key:
VYUSOPPDIUUOLQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.324g/mol
Monoisotopic Mass:
274.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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