1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)
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Basic information
- CAS
178980-69-3- Standard SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
GDQPXQLXGBFNGN-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2N4O4S
- Average molar mass
- 509.4 g/mol
- Monoisotopic mass
- 508.07388154
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(4-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethyl carbamate
Names & synonyms
178980-69-31H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(4-nitrophenyl)methyl]-, carbamate (ester)SCHEMBL6962314DTXSID90170746GDQPXQLXGBFNGN-UHFFFAOYSA-N2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(p-nitrobenzyl)-1H-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(4-nitrophenyl)methyl]imidazol-2-yl]ethyl carbamate2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(4-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
Database identifiers
- CAS
178980-69-3- PubChem CID
- 474069
- DTXSID
DTXSID90170746
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
- 653
Related reactions
7 records
Compound notes
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