1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, carbamate (ester)
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Basic information
- CAS
178980-65-9- Standard SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1- InChIKey
JVHHGHBQARABNY-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2N4O4S
- Average molar mass
- 509.4 g/mol
- Monoisotopic mass
- 508.0738818
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, carbamate (ester)
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethyl carbamate
Names & synonyms
178980-65-91H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-nitrophenyl)methyl]-, carbamate (ester)SCHEMBL6960943DTXSID50170742JVHHGHBQARABNY-UHFFFAOYSA-N2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(o-nitrobenzyl)-1h-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-nitrophenyl)methyl]imidazol-2-yl]ethyl carbamate2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
Database identifiers
- CAS
178980-65-9- PubChem CID
- 474076
- DTXSID
DTXSID50170742
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 661
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Related reactions
1 records
Compound notes
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