1-[(4-Chlorophenyl)(phenyl)methyl]-4-[(4-methylphenyl)sulfonyl]piperazine - CAS 474654-20-1
Catalog: |
BB070697 |
Product Name: |
1-[(4-Chlorophenyl)(phenyl)methyl]-4-[(4-methylphenyl)sulfonyl]piperazine |
CAS: |
474654-20-1 |
Synonyms: |
1-[(4-CHLOROPHENYL)(PHENYL)METHYL]-4-[(4-METHYLPHENYL)SULFONYL]PIPERAZINE; 1-[(4-chlorophenyl)-phenylmethyl]-4-(4-methylphenyl)sulfonylpiperazine; (-)-1-[1-(4-Chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)-sulfonyl]piperazine; 1-[(4-chlorophenyl)-phenyl-methyl]-4-(4-methylphenyl)sulfonyl-piperazine |
IUPAC Name: | 1-[(4-chlorophenyl)-phenylmethyl]-4-(4-methylphenyl)sulfonylpiperazine |
Molecular Weight: | 440.99 |
Molecular Formula: | C24H25ClN2O2S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
InChI: | InChI=1S/C24H25ClN2O2S/c1-19-7-13-23(14-8-19)30(28,29)27-17-15-26(16-18-27)24(20-5-3-2-4-6-20)21-9-11-22(25)12-10-21/h2-14,24H,15-18H2,1H3 |
InChI Key: | JUQGYTLIFLVABO-UHFFFAOYSA-N |
Complexity: | 622 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 440.1325269 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 440.1325269 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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