8-Acetyl-7-{3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy}-4-methyl-2H-1-benzopyran-2-one

HCID 337763

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Basic information

CAS: 77607-44-4
Standard SMILES: CC(=O)c1c(OCC(O)CN(CCO)CCO)ccc2c(C)cc(=O)oc12
InChIKey: CQBISPGCCCXAEX-UHFFFAOYSA-N
Molecular formula: C19H25NO7
Average molar mass: 379.4 g/mol
Monoisotopic mass: 379.16310214

Names & identifiers

Preferred name: 8-Acetyl-7-{3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy}-4-methyl-2H-1-benzopyran-2-one
IUPAC: 8-acetyl-7-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-4-methylchromen-2-one

Names & synonyms

NSC35680277607-44-4DTXSID70320262NSC-3568028-Acetyl-7-{3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy}-4-methyl-2H-1-benzopyran-2-one8-acetyl-7-[3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propoxy]-4-methyl-chromen-2-one8-Acetyl-7-{3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy}-4-methyl-2H-chromen-2-one

Database identifiers

CAS: 77607-44-4
PubChem CID: 337763
DTXSID: DTXSID70320262

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 117 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 27
Formal charge: 0
Complexity: 544

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