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478249-38-6 | N-[3-(1H-imidazol-1-yl)propyl]-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CAS No: 478249-38-6 Catalog No: AG00IZ5R MDL No:MFCD02571502
Product Description
Catalog Number:
AG00IZ5R
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
CAS Number:
478249-38-6
Molecular Formula:
C19H20N4O2
Molecular Weight:
336.3877
MDL Number:
MFCD02571502
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-(2-methylbenzoyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H20N4O2/c1-14-5-2-3-6-16(14)18(24)15-11-17(22-12-15)19(25)21-7-4-9-23-10-8-20-13-23/h2-3,5-6,8,10-13,22H,4,7,9H2,1H3,(H,21,25)
InChI Key:
QEVBBQTVOGFTSW-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)c1ccccc1C)NCCCn1cncc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.395g/mol
Monoisotopic Mass:
336.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^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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