3-(tert-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylic Acid - CAS 477721-87-2
Catalog: |
BB057705 |
Product Name: |
3-(tert-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylic Acid |
CAS: |
477721-87-2 |
Synonyms: |
3-(tert-butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolane-4-carboxylic acid; 2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic Acid; 3-[(tert-butoxy)carbonyl]-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid; 3-(tert-butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid; 1R-1325 |
IUPAC Name: | 2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid |
Molecular Weight: | 343.83 |
Molecular Formula: | C15H18ClNO4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1C(CSC1C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C15H18ClNO4S/c1-15(2,3)21-14(20)17-11(13(18)19)8-22-12(17)9-4-6-10(16)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,18,19) |
InChI Key: | MCVPXTHCXZFQMW-UHFFFAOYSA-N |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.0645069 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.0645069 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.1Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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