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478249-11-5 | 4-(2-ethylbutanoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 478249-11-5 Catalog No: AG00ISZ7 MDL No:MFCD02571471
Product Description
Catalog Number:
AG00ISZ7
Chemical Name:
4-(2-ethylbutanoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
478249-11-5
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
MDL Number:
MFCD02571471
IUPAC Name:
4-(2-ethylbutanoyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C18H23N3O2/c1-3-13(4-2)17(22)14-11-16(21-12-14)18(23)20-10-8-15-7-5-6-9-19-15/h5-7,9,11-13,21H,3-4,8,10H2,1-2H3,(H,20,23)
InChI Key:
PQJGJICEZJKAOL-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c[nH]c(c1)C(=O)NCCc1ccccn1)CC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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