| CAS Number | 791835-21-7 |
| Catalog Number | AG00536S(AGN-PC-00BBZS) |
| Chemical Name | BI-6C9 |
| IUPAC Name | N-[4-(4-aminophenyl)sulfanylphenyl]-4-[(4-methoxyphenyl)sulfonylamino]butanamide |
| InChI | InChI=1S/C23H25N3O4S2/c1-30-19-8-14-22(15-9-19)32(28,29)25-16-2-3-23(27)26-18-6-12-21(13-7-18)31-20-10-4-17(24)5-11-20/h4-15,25H,2-3,16,24H2,1H3,(H,26,27) |
| InChI Key | LCFUJBSKPDPGKO-UHFFFAOYSA-N |
| MDL Number | MFCD07784498 |
| Molecular Formula | C23H25N3O4S2 |
| Molecular Weight | 471.5923 |
| SMILES | NC1=CC=C(C=C1)SC1=CC=C(C=C1)NC(CCCNS(=O)(=O)C1=CC=C(C=C1)OC)=O |
| Synonyms | BI-6C9,
791835-21-7,
AC1Q4C26,
SCHEMBL3088138,
CHEMBL1609311,
CTK8E8904,
DTXSID20468365,
ZINC13829339,
N-[4-(4-aminophenyl)sulfanylphenyl]-4-[(4-methoxyphenyl)sulfonylamino]butanamide,
BI-6C9, >=97% (HPLC), solid,
NCGC00165738-01,
RT-011498,
N-[4-[(4-Aminophenyl)thio]phenyl]-4-[[(4-methoxyphenyl)sulfonyl]amino]-Butanamide,
LCFUJBSKPDPGKO-UHFFFAOYSA-N,
CID11547341,
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| Complexity | 661 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 471.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.59g/mol |
| Monoisotopic Mass | 471.129g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number