| CAS Number | 1555769-22-6 |
| Catalog Number | AG01EJIG |
| Chemical Name | tert-butyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate |
| IUPAC Name | tert-butyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate |
| InChI | InChI=1S/C16H19NO3S/c1-16(2,3)20-15(18)13-12(9-21-14(13)17)10-5-7-11(19-4)8-6-10/h5-9H,17H2,1-4H3 |
| InChI Key | CALDLPBXNRYYLX-UHFFFAOYSA-N |
| MDL Number | MFCD31616172 |
| Molecular Formula | C16H19NO3S |
| Molecular Weight | 305.392 |
| SMILES | COC1=CC=C(C2C(C(OC(C)(C)C)=O)=C(N)SC=2)C=C1 |
| Synonyms | AKOS020805342,
tert-butyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate,
1555769-22-6,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.392g/mol |
| Monoisotopic Mass | 305.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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