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556016-59-2 | N,N,4-trimethyl-3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)benzene-1-sulfonamide
CAS No: 556016-59-2 Catalog No: AG019I7B MDL No:MFCD04610468
Product Description
Catalog Number:
AG019I7B
Chemical Name:
N,N,4-trimethyl-3-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)benzene-1-sulfonamide
CAS Number:
556016-59-2
Molecular Formula:
C17H17N3O3S2
Molecular Weight:
375.4652
MDL Number:
MFCD04610468
IUPAC Name:
N,N,4-trimethyl-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonamide
InChI:
InChI=1S/C17H17N3O3S2/c1-11-8-9-12(25(22,23)19(2)3)10-15(11)20-16(21)13-6-4-5-7-14(13)18-17(20)24/h4-10H,1-3H3,(H,18,24)
InChI Key:
VWGVJCBGYWJYSM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1n1c(S)nc2c(c1=O)cccc2)S(=O)(=O)N(C)C
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.071g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.461g/mol
Monoisotopic Mass:
375.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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