Basic information
- Standard SMILES
CC(C)Cn1c(NN=Cc2c[nH]c3ccc(Cl)cc23)cc(=O)n(C)c1=O- InChIKey
VAJBRQXXAUHVLQ-UHFFFAOYSA-N- Molecular formula
- C18H20ClN5O2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1305526
Names & identifiers
- Preferred name
- 5-chloro-1H-indole-3-carbaldehyde (3-isobutyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
- IUPAC
- 6-[2-[(5-chloro-1H-indol-3-yl)methylidene]hydrazinyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
Names & synonyms
SCHEMBL5407991VAJBRQXXAUHVLQ-UHFFFAOYSA-N5-chloro-1H-indole-3-carbaldehyde (3-isobutyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone5-chloro-1h-indole-3-carbaldehyde(3-isobutyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
Database identifiers
- PubChem CID
- 136334112
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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