N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Base Information

• Chemical Name: N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
• CAS No.: 603947-31-5
• Molecular Formula: C17H19N5OS
• Molecular Weight: 341.43066
• DSSTox Substance ID: DTXSID001321009
• ChEMBL ID: CHEMBL1517636
• Mol file: 603947-31-5.mol

Synonyms:603947-31-5;ACETAMIDE,N-CYCLOPROPYL-2-[[8-(ISOPROPYL)-2H-1,2,4-TRIAZINO[5,6-B]INDOL-3-YL]THIO]-;ASN 06016984;N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide;MLS001220150;CHEMBL1517636;DTXSID001321009;HMS2905F24;AKOS000789145;SMR000601503;SR-01000341888;SR-01000341888-1;N-Cyclopropyl-2-(6-isopropyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide

Chemical Property of N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

Chemical Property:

• PKA: 10.37±0.50(Predicted)
• PSA: 108.86000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 3.39110
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 341.13103142
• Heavy Atom Count: 24
• Complexity: 472

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NC4CC4

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