6-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

Base Information

• Chemical Name: 6-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
• CAS No.: 5530-54-1
• Molecular Formula: C23H22N2O6
• Molecular Weight: 422.4
• DSSTox Substance ID: DTXSID50416894
• Wikidata: Q82226486

Synonyms:5530-54-1;CBMicro_022748;Oprea1_321971;DTXSID50416894;CCG-10112;AKOS000442773;6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione;BIM-0022985.P001;SR-01000211606;SR-01000211606-1

Chemical Property of 6-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

Chemical Property:

• Vapor Pressure: 1.32E-24mmHg at 25°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 422.14778643
• Heavy Atom Count: 31
• Complexity: 652

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Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)NC(CO)(CO)CO)C=CC=C4C2=O

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