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439112-10-4 | 4-(2-ethylbutanoyl)-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 439112-10-4 Catalog No: AG00IZ05 MDL No:MFCD03012326
Product Description
Catalog Number:
AG00IZ05
Chemical Name:
4-(2-ethylbutanoyl)-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
439112-10-4
Molecular Formula:
C17H24N4O2
Molecular Weight:
316.3981
MDL Number:
MFCD03012326
IUPAC Name:
4-(2-ethylbutanoyl)-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C17H24N4O2/c1-3-13(4-2)16(22)14-10-15(20-11-14)17(23)19-6-5-8-21-9-7-18-12-21/h7,9-13,20H,3-6,8H2,1-2H3,(H,19,23)
InChI Key:
TUDXETPSLGROJO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1)CC
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.405g/mol
Monoisotopic Mass:
316.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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