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439120-77-1 | 4-(2-methylbenzoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 439120-77-1 Catalog No: AG00IRH1 MDL No:MFCD03012376
Product Description
Catalog Number:
AG00IRH1
Chemical Name:
4-(2-methylbenzoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
439120-77-1
Molecular Formula:
C20H19N3O2
Molecular Weight:
333.3838
MDL Number:
MFCD03012376
IUPAC Name:
4-(2-methylbenzoyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C20H19N3O2/c1-14-6-2-3-8-17(14)19(24)15-12-18(23-13-15)20(25)22-11-9-16-7-4-5-10-21-16/h2-8,10,12-13,23H,9,11H2,1H3,(H,22,25)
InChI Key:
NJRHNVJZMDOEEZ-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)c1ccccc1C)NCCc1ccccn1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.391g/mol
Monoisotopic Mass:
333.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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