(5E)-1-(3,5-dimethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: (5E)-1-(3,5-dimethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
• CAS No.: 6077-91-4
• Molecular Formula: C24H19N3O3
• Molecular Weight: 397.4
• DSSTox Substance ID: DTXSID20365643
• Wikidata: Q82150470

Synonyms:6077-91-4;(5E)-1-(3,5-dimethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione;AC1LZIFV;DTXSID20365643

Chemical Property of (5E)-1-(3,5-dimethylphenyl)-5-[(1-prop-2-ynylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 397.14264148
• Heavy Atom Count: 30
• Complexity: 800

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Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC#C)C(=O)NC2=O)C
• Isomeric SMILES: CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC#C)/C(=O)NC2=O)C

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