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Home > Pyridines > 439120-80-6
439120-80-6 | 4-(2-phenylacetyl)-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439120-80-6 Catalog No: AG00ISZF MDL No:MFCD03012380
Product Description
Catalog Number:
AG00ISZF
Chemical Name:
4-(2-phenylacetyl)-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439120-80-6
Molecular Formula:
C19H17N3O2
Molecular Weight:
319.3572
MDL Number:
MFCD03012380
IUPAC Name:
4-(2-phenylacetyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H17N3O2/c23-18(10-14-4-2-1-3-5-14)16-11-17(21-13-16)19(24)22-12-15-6-8-20-9-7-15/h1-9,11,13,21H,10,12H2,(H,22,24)
InChI Key:
AFLGCTZYNTXVRR-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c(c1)C(=O)NCc1ccncc1)Cc1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.364g/mol
Monoisotopic Mass:
319.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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