Basic information
- Standard SMILES
S=C(NN=Cc1ccc(N2CCCC2)cc1)NC1CC2C=CC1C2- InChIKey
YKMZOQSMEAEAPY-UHFFFAOYSA-N- Molecular formula
- C19H24N4S
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.17216796
Names & identifiers
- Preferred name
- 4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(4-pyrrolidinobenzylidene)thiosemicarbazide
- IUPAC
- 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(4-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
Names & synonyms
SCHEMBL5180316YKMZOQSMEAEAPY-UHFFFAOYSA-N4-(Bicyclo[2.2.1]hept-5-en-2-yl)-1-(4-pyrrolidinobenzylidene)thiosemicarbazide
Database identifiers
- PubChem CID
- 73996745
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 503
Related reactions
2 records
Compound notes
Loading…