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Basic information
- Standard SMILES
CCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC- InChIKey
JLRWVYNLMCZOHM-UHFFFAOYSA-N- Molecular formula
- C13H22N4O4S
- Average molar mass
- 330.41 g/mol
- Monoisotopic mass
- 330.13617637
Names & identifiers
- Preferred name
- [5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-1-propyl-imidazol-4-yl]methyl N-methylcarbamate
- IUPAC
- [5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-1-propylimidazol-4-yl]methyl N-methylcarbamate
Names & synonyms
NSC608623SCHEMBL9276807CHEMBL2007692NCI60_004732(4-((((Methylamino)carbonyl)oxy)methyl)-2-(methylthio)-1-propyl-1H-imidazol-5-yl)methyl methylcarbamate hydrochloride[5-(methylcarbamoyloxymethyl)-2-methylsulfanyl-1-propyl-imidazol-4-yl]methyl N-methylcarbamate
Database identifiers
- PubChem CID
- 355282
- ChEMBL
CHEMBL2007692
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- 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
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Compound notes
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