1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-, carbamate (ester)
Basic information
- CAS
178980-21-7- Standard SMILES
CC(C)c1nc(COC(N)=O)n(Cc2cnc3ccccc3c2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
SQNQYJGMGCYQSN-UHFFFAOYSA-N- Molecular formula
- C24H22Cl2N4O2S
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.0840525
Names & identifiers
- Preferred name
- 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-, carbamate (ester)
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(quinolin-3-ylmethyl)imidazol-2-yl]methyl carbamate
Names & synonyms
178980-21-71H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-, carbamate (ester)(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(quinolin-3-ylmethyl)-1H-imidazol-2-yl)methyl carbamate1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(3-quinolinylmethyl)-, carbamate (ester)SCHEMBL6969844DTXSID00170712SQNQYJGMGCYQSN-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(3-quinolylmethyl)imidazol-2-yl]methyl carbamate{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(quinolin-3-yl)methyl]-1H-imidazol-2-yl}methyl carbamate2-carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(quinolin-3-ylmethyl)-1H-imidazole
Database identifiers
- CAS
178980-21-7- PubChem CID
- 474045
- DTXSID
DTXSID00170712
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
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