Basic information
- Standard SMILES
CCn1c(COC(=O)NC(=O)c2ccc(Cl)cc2)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
BQDIAOMBAQJEGZ-UHFFFAOYSA-N- Molecular formula
- C23H22Cl3N3O3S
- Average molar mass
- 526.9 g/mol
Names & identifiers
- Preferred name
- 5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-ylmethyl 4-chlorobenzoylcarbamate
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl N-(4-chlorobenzoyl)carbamate
Names & synonyms
SCHEMBL6159276BQDIAOMBAQJEGZ-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-isopropyl-imidazol-2-yl]methyl N-(4-chlorobenzoyl)carbamate5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-ylmethyl 4-chlorobenzoylcarbamate5-(3,5-Dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazol-2-ylmethyl-4-chlorobenzoylcarbamate
Database identifiers
- PubChem CID
- 478190
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 656
Related reactions
2 records
Compound notes
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