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439111-97-4 | N-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CAS No: 439111-97-4 Catalog No: AG00IR4J MDL No:MFCD03012623
Product Description
Catalog Number:
AG00IR4J
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CAS Number:
439111-97-4
Molecular Formula:
C19H20N4O3
Molecular Weight:
352.3871
MDL Number:
MFCD03012623
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H20N4O3/c1-26-16-5-3-14(4-6-16)18(24)15-11-17(22-12-15)19(25)21-7-2-9-23-10-8-20-13-23/h3-6,8,10-13,22H,2,7,9H2,1H3,(H,21,25)
InChI Key:
ZKWZHROMNPJLCY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.154g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.394g/mol
Monoisotopic Mass:
352.154g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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