rac-Belaperidone - CAS 156862-51-0
Catalog: |
BB061579 |
Product Name: |
rac-Belaperidone |
CAS: |
156862-51-0 |
Synonyms: |
(1α,5α,6α)-3-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]hept-3-yl]ethyl]-2,4(1H,3H)-Quinazolinedione; 2,4(1H,3H)-Quinazolinedione Derivative 3-Azabicyclo[3.2.0]heptane |
IUPAC Name: | 3-[2-[(1R,5S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione |
Molecular Weight: | 379.43 |
Molecular Formula: | C22H22FN3O2 |
Canonical SMILES: | C1C2CN(CC2C1C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=O |
InChI: | InChI=1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28/h1-8,15,18-19H,9-13H2,(H,24,28)/t15-,18?,19+/m0/s1 |
InChI Key: | XLJWJFKYRFPJSD-JMRRQPBMSA-N |
Complexity: | 621 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 379.16960512 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 379.16960512 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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