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1031121-18-2 | N-[4-(1H-imidazol-1-yl)phenyl]-4-{[4-(1H-imidazol-1-yl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxamide
CAS No: 1031121-18-2 Catalog No: AG01AP70 MDL No:MFCD10624221
Product Description
Catalog Number:
AG01AP70
Chemical Name:
N-[4-(1H-imidazol-1-yl)phenyl]-4-{[4-(1H-imidazol-1-yl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxamide
CAS Number:
1031121-18-2
Molecular Formula:
C23H19N7O3S
Molecular Weight:
473.5071
MDL Number:
MFCD10624221
IUPAC Name:
N-(4-imidazol-1-ylphenyl)-4-[(4-imidazol-1-ylphenyl)sulfamoyl]-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C23H19N7O3S/c31-23(27-17-1-5-19(6-2-17)29-11-9-24-15-29)22-13-21(14-26-22)34(32,33)28-18-3-7-20(8-4-18)30-12-10-25-16-30/h1-16,26,28H,(H,27,31)
InChI Key:
YPRDCZPPDKDBJB-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)S(=O)(=O)Nc1ccc(cc1)n1ccnc1)Nc1ccc(cc1)n1ccnc1
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.127g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
473.511g/mol
Monoisotopic Mass:
473.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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