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439111-65-6 | 4-(3-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439111-65-6 Catalog No: AG00IVNL MDL No:MFCD03012607
Product Description
Catalog Number:
AG00IVNL
Chemical Name:
4-(3-methoxybenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439111-65-6
Molecular Formula:
C19H17N3O3
Molecular Weight:
335.3566
MDL Number:
MFCD03012607
IUPAC Name:
4-(3-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H17N3O3/c1-25-16-6-2-5-14(8-16)18(23)15-9-17(21-12-15)19(24)22-11-13-4-3-7-20-10-13/h2-10,12,21H,11H2,1H3,(H,22,24)
InChI Key:
YVIVQKLHOKIPGJ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)c1c[nH]c(c1)C(=O)NCc1cccnc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.363g/mol
Monoisotopic Mass:
335.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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