5-chloro-2-(methylsulfanyl)-N'-(phenylacetyl)pyrimidine-4-carbohydrazide
Basic information
- Standard SMILES
CSc1ncc(Cl)c(C(=O)NNC(=O)Cc2ccccc2)n1- InChIKey
ZHBNVUUMVQLYPR-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O2S
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.0447745
Names & identifiers
- Preferred name
- 5-chloro-2-(methylsulfanyl)-N'-(phenylacetyl)pyrimidine-4-carbohydrazide
- IUPAC
- 5-chloro-2-methylsulfanyl-N'-(2-phenylacetyl)pyrimidine-4-carbohydrazide
Names & synonyms
5-chloro-2-(methylsulfanyl)-N'-(phenylacetyl)pyrimidine-4-carbohydrazide893442-20-15-Chloro-2-(methylthio)-N'-(2-phenylacetyl)pyrimidine-4-carbohydrazideSCHEMBL2982013ZHBNVUUMVQLYPR-UHFFFAOYSA-NSTK600856AKOS0031069605-chloro-2-(methylthio)-N'-(2-phenyl-acetyl)pyrimidine-4-carbohydrazide
Database identifiers
- PubChem CID
- 17586552
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
5 records
Compound notes
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