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Basic information
- Standard SMILES
N#Cc1c2n(c(=S)n(-c3ccccc3)c1=O)CCCCCCC2- InChIKey
KWTSBDOKWRORHX-UHFFFAOYSA-N- Molecular formula
- C18H19N3OS
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.12488341
Names & identifiers
- Preferred name
- 3-Oxo-2-phenyl-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile
- IUPAC
- 3-oxo-2-phenyl-1-sulfanylidene-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Names & synonyms
NSC696803NSC-6968033-Oxo-2-phenyl-1-thioxo-1,2,3,5,6,7,8,9,10,11-decahydropyrimido[1,6-a]azonine-4-carbonitrile3-oxo-2-phenyl-1-thioxo-6,7,8,9,10,11-hexahydro-5H-pyrimido[1,6-a]azonine-4-carbonitrile
Database identifiers
- PubChem CID
- 393876
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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