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439111-95-2 | N-[3-(1H-imidazol-1-yl)propyl]-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxamide
CAS No: 439111-95-2 Catalog No: AG00IR4I MDL No:MFCD03012621
Product Description
Catalog Number:
AG00IR4I
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxamide
CAS Number:
439111-95-2
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
MDL Number:
MFCD03012621
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C16H22N4O2/c1-12(2)8-15(21)13-9-14(19-10-13)16(22)18-4-3-6-20-7-5-17-11-20/h5,7,9-12,19H,3-4,6,8H2,1-2H3,(H,18,22)
InChI Key:
CITSWCSUMHPWFU-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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