Basic information
- Standard SMILES
CCOC(=O)c1nn(C(C)(C)C)c2c1ccc1cnc(SC)nc12- InChIKey
RXXABMLMKKIICJ-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2S
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-tert-butyl-8-(methylsulfanyl)-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
- IUPAC
- ethyl 1-tert-butyl-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxylate
Names & synonyms
SCHEMBL10216016RXXABMLMKKIICJ-UHFFFAOYSA-NEthyl 1-tert-butyl-8-(methylsulfanyl)-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
Database identifiers
- PubChem CID
- 68067407
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
1 records
Compound notes
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