Basic information
- CAS
1025448-59-2- Standard SMILES
O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc2c(cc1Br)OCO2- InChIKey
YMDJFUPVEXJBOD-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3O4
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.03242
Names & identifiers
- Preferred name
- 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-5-(1H-indol-3-ylmethyl)-2,4-imidazolidinedione
- IUPAC
- 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Names & synonyms
DTXSID1011257133-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-5-(1H-indol-3-ylmethyl)-2,4-imidazolidinedione1025448-59-2Z509714493-[(6-Bromo-2H-1,3-benzodioxol-5-yl)methyl]-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
Database identifiers
- CAS
1025448-59-2- PubChem CID
- 16370331
- DTXSID
DTXSID101125713
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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