SC 41930
7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
Molecular Identity
SC 41930
7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID: 114999
2D Structure
Properties
C28H36O7
Molecular Formula
484.60
Molecular Weight
g/mol
484.2461
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
91.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCCIsomeric SMILES
SMILES: CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCCSynonyms(20)
SC-41930120072-59-5SC 41930EVH7O0422TCGS-241152H-1-Benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-8-propylchroman-2-carboxylic acid7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propylchroman-2-carboxylic acid2H-1-Benzopyran-2-carboxylic acid, 7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-3,4-dihydro-8-propyl-RefChem:568365BioMed 101CHEMBL148237-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acidCGS 24115UNII-EVH7O0422T
Data from PubChem (NCBI)
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