N-[2-(4-chlorophenyl)ethyl]-4-{[5-(4-methoxyphenyl)-4-methyl-1,1-dioxido-3-oxoisothiazol-2(3H)-yl]methyl}benzamide
AlkaPlorer ID: AK563820
Synonym: None
IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-[[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]benzamide
Structure
SMILES: COC1=CC=C(C2=C(C)C(=O)N(CC3=CC=C(C(=O)NCCC4=CC=C(Cl)C=C4)C=C3)S2(=O)=O)C=C1
InChI: InChI=1S/C27H25ClN2O5S/c1-18-25(21-9-13-24(35-2)14-10-21)36(33,34)30(27(18)32)17-20-3-7-22(8-4-20)26(31)29-16-15-19-5-11-23(28)12-6-19/h3-14H,15-17H2,1-2H3,(H,29,31)
InChIKey: WUVBNMGJQHLJOO-UHFFFAOYSA-N
Reference
PubChem CID: 20942996
Source
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Properties Information
Molecule Weight: 525.0260000000002
TPSA？: 92.78
MolLogP？: 4.424300000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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