Basic information
- Standard SMILES
Cc1c(SCCCSc2ccc3ncc([N+](=O)[O-])n3n2)ccnc1CO- InChIKey
LNUIODNMMMCFPB-UHFFFAOYSA-N- Molecular formula
- C16H17N5O3S2
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- {3-Methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-ylsulfanyl)propylsulfanyl]pyridin-2-yl}methanol
- IUPAC
- [3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropylsulfanyl]-2-pyridinyl]methanol
Names & synonyms
SCHEMBL8082681LNUIODNMMMCFPB-UHFFFAOYSA-N{3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl-sulfanyl)propylsulfanyl]pyridin-2-yl}methanol{3-Methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-ylsulfanyl)propylsulfanyl]pyridin-2-yl}methanol
Database identifiers
- PubChem CID
- 9908482
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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