10-(5-Chlorofuran-2-yl)-5-(3-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydropyrazino[1',2':1,2]pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione

HCID 76285306
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Basic information

Standard SMILES
Cn1c(=O)c2c(-c3cccc(Cl)c3)n3c(c2n(C)c1=O)C(c1ccc(Cl)o1)NCC3
InChIKey
AQRRSZYKWWEJTD-UHFFFAOYSA-N
Molecular formula
C21H18Cl2N4O3
Average molar mass
445.3 g/mol

Names & identifiers

Preferred name
10-(5-Chlorofuran-2-yl)-5-(3-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydropyrazino[1',2':1,2]pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione
IUPAC
13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-3,5-dimethyl-3,5,9,12-tetrazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

Names & synonyms

CHEMBL3952105SCHEMBL15796391AQRRSZYKWWEJTD-UHFFFAOYSA-N10-(5-Chlorofuran-2-yl)-5-(3-chlorophenyl)-1,3-dimethyl-7,8,9,10-tetrahydropyrazino[1',2':1,2]pyrrolo[3,4-d]pyrimidine-2,4(1H,3H)-dione

Database identifiers

PubChem CID
76285306
ChEMBL
CHEMBL3952105

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
70.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
30

Related reactions

1 records
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Compound notes

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