tert-Butyl 3-Oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate - CAS 392331-35-0
Catalog: |
BB076714 |
Product Name: |
tert-Butyl 3-Oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate |
CAS: |
392331-35-0 |
Synonyms: |
tert-butyl 3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate; tert-butyl3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate |
IUPAC Name: | tert-butyl 3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate |
Description: | tert-Butyl 3-Oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxylate is an intermediate in the synthesis of Spiclomazine (S681760), a phenothiazine derivative that inhibits human platelet type B monoaine oxidase(MAO). |
Molecular Weight: | 272.36 |
Molecular Formula: | C12H20N2O3S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)CS2 |
InChI: | InChI=1S/C12H20N2O3S/c1-11(2,3)17-10(16)14-6-4-12(5-7-14)13-9(15)8-18-12/h4-8H2,1-3H3,(H,13,15) |
InChI Key: | BETOZTCFZRPFSA-UHFFFAOYSA-N |
References: | Suzuki, O., et. al. Life Sci., 42, 2131 (1988). |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.11946368 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.11946368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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