4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid tert-Butyl Ester - CAS 183288-44-0
Catalog: |
BB074951 |
Product Name: |
4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid tert-Butyl Ester |
CAS: |
183288-44-0 |
Synonyms: |
4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate |
Description: | Intermediate in the synthesis of Vilazodone (V265000). |
Molecular Weight: | 345.39 |
Molecular Formula: | C18H23N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(=C3)C(=O)N |
InChI: | InChI=1S/C18H23N3O4/c1-18(2,3)25-17(23)21-8-6-20(7-9-21)13-4-5-14-12(10-13)11-15(24-14)16(19)22/h4-5,10-11H,6-9H2,1-3H3,(H2,19,22) |
InChI Key: | RXWUUFACDXGVIO-UHFFFAOYSA-N |
Melting Point: | >200°C (dec.) |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Yellow Solid |
Storage: | -20°C |
Complexity: | 511 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 345.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 345.16885622 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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