200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 439111-45-2
439111-45-2 | 4-(4-tert-butylbenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439111-45-2 Catalog No: AG00IQNX MDL No:MFCD03012447
Product Description
Catalog Number:
AG00IQNX
Chemical Name:
4-(4-tert-butylbenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439111-45-2
Molecular Formula:
C22H23N3O2
Molecular Weight:
361.4369
MDL Number:
MFCD03012447
IUPAC Name:
4-(4-tert-butylbenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C22H23N3O2/c1-22(2,3)18-8-6-16(7-9-18)20(26)17-11-19(24-14-17)21(27)25-13-15-5-4-10-23-12-15/h4-12,14,24H,13H2,1-3H3,(H,25,27)
InChI Key:
HHPWMTXSUJRLJS-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c(c1)C(=O)NCc1cccnc1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.445g/mol
Monoisotopic Mass:
361.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.