smr000424722

1. Names and Identifiers

1.2 Synonyms: 3-(3-methoxypropyl)-2-propyl-3-hydrochromeno[2,3-d]pyrimidine-4,5-dione; 3-(3-Methoxypropyl)-2-propyl-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione; 3-(3-methoxypropyl)-2-propylchromeno[2,3-d]pyrimidine-4,5-dione; 4H-[1]Benzopyrano[2,3-d]pyrimidine-4,5(3H)-dione, 3-(3-methoxypropyl)-2-propyl-; AC1LY9DP; CHEMBL1488904; HMS2802P06; MLS000780416;

1.6 Inchi: InChI=1S/C18H20N2O4/c1-3-7-14-19-17-15(18(22)20(14)10-6-11-23-2)16(21)12-8-4-5-9-13(12)24-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3

2. Properties

3. Computed Properties

Molecular Weight：328.368g/mol
Molecular Formula：C₁₈H₂₀N₂O₄
Compound Is Canonicalized：True
Exact Mass：2
XLogP3-AA：328.14230712
Monoisotopic Mass：328.14230712
Complexity：582
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：68.2
Heavy Atom Count：：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAAAAAADAThmAYzBoMABACoAqNydACCCAEkIAAJiAE+CMgMJj6MvRqMMWAm5hGIqceY3KLOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

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1. Names and Identifiers

2. Properties