(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate - CAS 1306763-30-3
Catalog: |
BB070942 |
Product Name: |
(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate |
CAS: |
1306763-30-3 |
Synonyms: |
(R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate; tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate |
IUPAC Name: | tert-butyl N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate |
Description: | (R)-tert-Butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate is a useful reagent in the preparation of oxadiazoles as sphingosine 1 phosphate receptor modulators useful in the treatment of S1P1-associated diseases. |
Molecular Weight: | 258.32 |
Molecular Formula: | C15H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC2=C(C=CC=C12)C#N |
InChI: | InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-13-8-7-11-10(9-16)5-4-6-12(11)13/h4-6,13H,7-8H2,1-3H3,(H,17,18)/t13-/m1/s1 |
InChI Key: | LBHMMDUJKBJVQI-CYBMUJFWSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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