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Basic information
- Standard SMILES
CCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C- InChIKey
YAJUJGFVTIUXID-UHFFFAOYSA-N- Molecular formula
- C13H22N4O4S
- Average molar mass
- 330.41 g/mol
- Monoisotopic mass
- 330.13617637
Names & identifiers
- Preferred name
- [1-methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate
- IUPAC
- [1-methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanylimidazol-4-yl]methyl N-methylcarbamate
Names & synonyms
NSC608624NSC623922CHEMBL119821NSC-623922NCI60_004733NCI60_007163(1-Methyl-4-((((methylamino)carbonyl)oxy)methyl)-2-(propylthio)-1H-imidazol-5-yl)methyl methylcarbamate hydrochloride[1-methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate
Database identifiers
- PubChem CID
- 355284
- ChEMBL
CHEMBL119821- Nikkaji
- J577.958H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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