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691858-12-5 | 4-cyclohexanecarbonyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 691858-12-5 Catalog No: AG00IP27 MDL No:MFCD03102458
Product Description
Catalog Number:
AG00IP27
Chemical Name:
4-cyclohexanecarbonyl-N-[(pyridin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
691858-12-5
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
MDL Number:
MFCD03102458
IUPAC Name:
4-(cyclohexanecarbonyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C18H21N3O2/c22-17(14-4-2-1-3-5-14)15-10-16(20-12-15)18(23)21-11-13-6-8-19-9-7-13/h6-10,12,14,20H,1-5,11H2,(H,21,23)
InChI Key:
SULFNUHQRLIFSL-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)C1CCCCC1)NCc1ccncc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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