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75968-26-2 | 3-({[4-(ACETYLAMINO)PHENYL]SULFONYL}AMINO)-3-AZAPROP-2-ENOIC ACID
CAS No: 75968-26-2 Catalog No: AG005GYP MDL No:
Product Description
Catalog Number:
AG005GYP
Chemical Name:
3-({[4-(ACETYLAMINO)PHENYL]SULFONYL}AMINO)-3-AZAPROP-2-ENOIC ACID
CAS Number:
75968-26-2
Molecular Formula:
C10H11N3O5S
Molecular Weight:
285.2764
IUPAC Name:
(2E)-2-[(4-acetamidophenyl)sulfonylhydrazinylidene]acetic acid
InChI:
InChI=1S/C10H11N3O5S/c1-7(14)12-8-2-4-9(5-3-8)19(17,18)13-11-6-10(15)16/h2-6,13H,1H3,(H,12,14)(H,15,16)/b11-6+
InChI Key:
HTPGGBODPWPAHV-IZZDOVSWSA-N
SMILES:
OC(=O)C=NNS(=O)(=O)c1ccc(cc1)NC(=O)C
NSC Number:
276745
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
285.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.274g/mol
Monoisotopic Mass:
285.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching. | Journal of medicinal chemistry 19970314 |
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