| CAS Number | 355022-97-8 |
| Catalog Number | AG00CHNO(AGN-PC-0WALP0) |
| Chemical Name | 5-Nitro-α-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide |
| IUPAC Name | 2-(5-nitro-1H-indol-3-yl)-2-oxo-N-[(1R)-1-phenylethyl]acetamide |
| InChI | InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1 |
| InChI Key | VCKKJKQZHHPPDR-LLVKDONJSA-N |
| MDL Number | MFCD18086911 |
| Molecular Formula | C18H15N3O4 |
| Molecular Weight | 337.3294 |
| SMILES | [N+](=O)([O-])C=1C=C2C(=CNC2=CC1)C(C(=O)N[C@H](C)C1=CC=CC=C1)=O |
| Synonyms | TCS 1205,
CHEMBL75456,
355022-97-8,
BDBM50101427,
ZINC13863224,
AKOS024457888,
NCGC00370965-01,
5-Nitro-?-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide,
5-Nitro-alpha-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide,
(R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenylethyl)acetamide,
2-(5-Nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyl-ethyl)-acetamide,
2-(5-nitro-1H-indol-3-yl)-2-oxo-N-[(1R)-1-phenylethyl]acetamide,
VCKKJKQZHHPPDR-LLVKDONJSA-N,
CID10315001,
2-(5-nitro-1H-indol-3-yl)-2-oxo-N-[(1S)-1-phenylethyl]acetamide,
|
| Complexity | 527 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.335g/mol |
| Monoisotopic Mass | 337.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number