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Home > Imidazoles > 1214429-43-2
1214429-43-2 | N-[4-(1H-imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CAS No: 1214429-43-2 Catalog No: AG01BBL7 MDL No:MFCD11667662
Product Description
Catalog Number:
AG01BBL7
Chemical Name:
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CAS Number:
1214429-43-2
Molecular Formula:
C18H15N5O4S
Molecular Weight:
397.4078
MDL Number:
MFCD11667662
IUPAC Name:
N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
InChI:
InChI=1S/C18H15N5O4S/c24-17-15-9-14(5-6-16(15)20-18(25)21-17)28(26,27)22-13-3-1-12(2-4-13)10-23-8-7-19-11-23/h1-9,11,22H,10H2,(H2,20,21,24,25)
InChI Key:
YUMCTBMIGMUWDS-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)Cn1ccnc1
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.084g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.409g/mol
Monoisotopic Mass:
397.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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