(6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Base Information

• Chemical Name: (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
• CAS No.: 6291-39-0
• Molecular Formula: C23H21ClN4O3S
• Molecular Weight: 468.9558
• DSSTox Substance ID: DTXSID90415386
• Wikidata: Q82224294

Synonyms:6291-39-0;AC1NRIWO;DTXSID90415386;STK712115;AKOS001658139;SR-01000463958;SR-01000463958-1;(6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property of (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Chemical Property:

• Vapor Pressure: 4.8E-14mmHg at 25°C
• Boiling Point: 593.3°Cat760mmHg
• Flash Point: 312.6°C
• Density: 1.39g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 468.1022894
• Heavy Atom Count: 32
• Complexity: 843

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NN2C(=N)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC)C(=O)N=C2S1
• Isomeric SMILES: CC(C)C1=NN2C(=N)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)OC)/C(=O)N=C2S1

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