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478040-37-8 | 4-[2-(4-chlorophenyl)acetyl]-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 478040-37-8 Catalog No: AG00IOSU MDL No:MFCD02571905
Product Description
Catalog Number:
AG00IOSU
Chemical Name:
4-[2-(4-chlorophenyl)acetyl]-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
478040-37-8
Molecular Formula:
C19H19ClN4O2
Molecular Weight:
370.8328
MDL Number:
MFCD02571905
IUPAC Name:
4-[2-(4-chlorophenyl)acetyl]-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H19ClN4O2/c20-16-4-2-14(3-5-16)10-18(25)15-11-17(23-12-15)19(26)22-6-1-8-24-9-7-21-13-24/h2-5,7,9,11-13,23H,1,6,8,10H2,(H,22,26)
InChI Key:
OBVKDWZEBCLMBQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC(=O)c1c[nH]c(c1)C(=O)NCCCn1cncc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.837g/mol
Monoisotopic Mass:
370.12g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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