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439096-76-1 | 4-cyclohexanecarbonyl-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 439096-76-1 Catalog No: AG00IN8F MDL No:MFCD03012663
Product Description
Catalog Number:
AG00IN8F
Chemical Name:
4-cyclohexanecarbonyl-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
439096-76-1
Molecular Formula:
C19H23N3O2
Molecular Weight:
325.4048
MDL Number:
MFCD03012663
IUPAC Name:
4-(cyclohexanecarbonyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H23N3O2/c23-18(14-6-2-1-3-7-14)15-12-17(22-13-15)19(24)21-11-9-16-8-4-5-10-20-16/h4-5,8,10,12-14,22H,1-3,6-7,9,11H2,(H,21,24)
InChI Key:
SQMKUHAJTLEPTH-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)C1CCCCC1)NCCc1ccccn1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.412g/mol
Monoisotopic Mass:
325.179g/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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