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17794-23-9 | Benzenesulfonyl fluoride, 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-
CAS No: 17794-23-9 Catalog No: AG0025MF MDL No:
Product Description
Catalog Number:
AG0025MF
Chemical Name:
Benzenesulfonyl fluoride, 3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]acetyl]amino]-
CAS Number:
17794-23-9
Molecular Formula:
C19H21FN6O4S
Molecular Weight:
448.4712
IUPAC Name:
3-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride
InChI:
InChI=1S/C19H21FN6O4S/c1-19(2)25-17(21)24-18(22)26(19)13-6-8-14(9-7-13)30-11-16(27)23-12-4-3-5-15(10-12)31(20,28)29/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25)
InChI Key:
OMSHIIAGTDRPGZ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)S(=O)(=O)F)COc1ccc(cc1)N1C(=NC(=NC1(C)C)N)N
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.133g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
448.473g/mol
Monoisotopic Mass:
448.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Identification of highly potent and selective inhibitors of Toxoplasma gondii dihydrofolate reductase. | Antimicrobial agents and chemotherapy 19930901 |
| Pneumocystis carinii dihydrofolate reductase used to screen potential antipneumocystis drugs. | Antimicrobial agents and chemotherapy 19910701 |
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