(R)-1-Benzoyl-4-(4-iodophenyl)sulfonyl-3-methylpiperazine - CAS 948990-71-4
Catalog: |
BB073868 |
Product Name: |
(R)-1-Benzoyl-4-(4-iodophenyl)sulfonyl-3-methylpiperazine |
CAS: |
948990-71-4 |
Synonyms: |
[(3R)-4-[(4-Iodophenyl)sulfonyl]-3-methyl-1-piperazinyl]phenylmethanone |
IUPAC Name: | [(3R)-4-(4-iodophenyl)sulfonyl-3-methylpiperazin-1-yl]-phenylmethanone |
Description: | (R)-1-Benzoyl-4-(4-iodophenyl)sulfonyl-3-methylpiperazine |
Molecular Weight: | 470.32 |
Molecular Formula: | C18H19IN2O3S |
Canonical SMILES: | CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)I)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H19IN2O3S/c1-14-13-20(18(22)15-5-3-2-4-6-15)11-12-21(14)25(23,24)17-9-7-16(19)8-10-17/h2-10,14H,11-13H2,1H3/t14-/m1/s1 |
InChI Key: | WRDLPDOULHEQJA-CQSZACIVSA-N |
Complexity: | 563 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 470.01611 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 470.01611 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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