Basic information
- Standard SMILES
COc1cccc(C2=CCn3c(=S)[nH]c(=O)c4cnn2c43)c1- InChIKey
QVIVSNGEBQQGQA-UHFFFAOYSA-N- Molecular formula
- C15H12N4O2S
- Average molar mass
- 312.3 g/mol
Names & identifiers
- Preferred name
- 4,5-dihydro-8-(3-methoxyphenyl)-5-thioxo-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one
- IUPAC
- 11-(3-methoxyphenyl)-7-sulfanylidene-1,2,6,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),10-trien-5-one
Names & synonyms
SCHEMBL8335650QVIVSNGEBQQGQA-UHFFFAOYSA-N4,5-dihydro-8-(3-methoxyphenyl)-5-thioxo-3H,6H-1,4,5a,8a-tetraazaacenaphthylen-3-one
Database identifiers
- PubChem CID
- 21223940
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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