| CAS Number | 1400808-16-3 |
| Catalog Number | AG009K2A |
| Chemical Name | Ethyl 2-amino-7-((2-(tert-butoxy)-2-oxoethyl)amino)-5-fluoro-1H-indole-3-carboxylate |
| IUPAC Name | ethyl 2-amino-5-fluoro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1H-indole-3-carboxylate |
| InChI | InChI=1S/C17H22FN3O4/c1-6-24-15(22)12-10-7-9(18)8-11(13(10)20-14(12)19)21(5)16(23)25-17(2,3)4/h7-8,20H,6,19H2,1-5H3 |
| InChI Key | OVPROAGCWVHHQG-UHFFFAOYSA-N |
| MDL Number | MFCD28098117 |
| Molecular Formula | C17H22FN3O4 |
| Molecular Weight | 351.3727 |
| SMILES | CCOC(=O)c1c(N)[nH]c2c1cc(F)cc2N(C(=O)OC(C)(C)C)C |
| Synonyms | 1400808-16-3,
2-Amino-7-(Boc-methyl-amino)-5-fluoro-1H-indole-3-carboxylic acid ethyl ester,
ethyl 2-amino-7-((tert-butoxycarbonyl)(methyl)amino)-5-fluoro-1H-indole-3-carboxylate,
C17H22FN3O4,
SCHEMBL12458082,
OVPROAGCWVHHQG-UHFFFAOYSA-N,
1539AJ,
MFCD28098117,
ZINC142869415,
NE64296,
CS-0061570,
Ethyl 2-amino-7-((t-butoxycarbonyl)(methyl)amino)-5-fluoro-1H-indole-3-carboxylate,
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| Complexity | 511 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.378g/mol |
| Monoisotopic Mass | 351.159g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number