1-(4-Acetylaminophenyl)-7-Methylthiophthalazine
Basic information
- Standard SMILES
CSc1ccc2cnnc(-c3ccc(NC(C)=O)cc3)c2c1- InChIKey
LHZZBAQHCOJKMC-UHFFFAOYSA-N- Molecular formula
- C17H15N3OS
- Average molar mass
- 309.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Acetylaminophenyl)-7-Methylthiophthalazine
- IUPAC
- N-[4-(7-methylsulfanylphthalazin-1-yl)phenyl]acetamide
Names & synonyms
SCHEMBL6483572LHZZBAQHCOJKMC-UHFFFAOYSA-N1-(4-Acetylaminophenyl)-7-methylthiophtalazine1-(4-Acetylaminophenyl)-7-Methylthiophthalazine
Database identifiers
- PubChem CID
- 9944490
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
4 records
Compound notes
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