Basic information
- Standard SMILES
CN(C)Cc1cc(OCCCNc2c(N)c(=O)c2=O)cs1- InChIKey
NRHGBLVZTXYCQF-UHFFFAOYSA-N- Molecular formula
- C14H19N3O3S
- Average molar mass
- 309.39 g/mol
Names & identifiers
- Preferred name
- 1-Amino-2-[3-(5-dimethylaminomethyl-3-thienyloxy)propylamino]cyclobutene-3,4-dione
- IUPAC
- 3-amino-4-[3-[5-[(dimethylamino)methyl]thiophen-3-yl]oxypropylamino]cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL10687060NRHGBLVZTXYCQF-UHFFFAOYSA-N1-Amino-2-[3-(5-dimethylaminomethyl-3-thienyloxy)propylamino]cyclobutene-3,4-dione
Database identifiers
- PubChem CID
- 21283044
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Related reactions
8 records
Compound notes
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