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Basic information
- Standard SMILES
CCCCCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC- InChIKey
OOYAWGCVGLRTAJ-UHFFFAOYSA-N- Molecular formula
- C16H28N4O4S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18312656
Names & identifiers
- Preferred name
- [1-hexyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate
- IUPAC
- [1-hexyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanylimidazol-4-yl]methyl N-methylcarbamate
Names & synonyms
NSC608625SCHEMBL9279979CHEMBL2009074NCI60_004734(1-Hexyl-4-((((methylamino)carbonyl)oxy)methyl)-2-(methylthio)-1H-imidazol-5-yl)methyl methylcarbamate hydrochloride[1-hexyl-5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate
Database identifiers
- PubChem CID
- 355286
- ChEMBL
CHEMBL2009074
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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