1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-, carbamate (ester)
Basic information
- CAS
178980-31-9- Standard SMILES
CCn1c(CCOC(N)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
JEWQLICMSNQOCM-UHFFFAOYSA-N- Molecular formula
- C17H21Cl2N3O2S
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0731535
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-, carbamate (ester)
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate
Names & synonyms
178980-31-91H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-1-ethyl-4-(1-methylethyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-1-ethyl-4-(1-methylethyl)-, carbamate (ester)SCHEMBL6969256DTXSID30170720JEWQLICMSNQOCM-UHFFFAOYSA-N2-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenylthio)-1-ethyl-4-isopropyl-1H-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-isopropyl-imidazol-2-yl]ethyl carbamate2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-ethyl-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
Database identifiers
- CAS
178980-31-9- PubChem CID
- 474097
- DTXSID
DTXSID30170720
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
1 records
Compound notes
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