Basic information
- CAS
178980-46-6- Standard SMILES
CC(C)c1nc(CCCOC(N)=O)n(CCOC(N)=O)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
YJDGZQFOGSWKBY-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N4O4S
- Average molar mass
- 475.4 g/mol
- Monoisotopic mass
- 474.0895318
Names & identifiers
- Preferred name
- 1H-Imidazole-2-propanol, 1-(2-((aminocarbonyl)oxy)ethyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)
- IUPAC
- 3-[1-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]propyl carbamate
Names & synonyms
178980-46-61H-Imidazole-2-propanol, 1-(2-((aminocarbonyl)oxy)ethyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)3-{1-[2-(carbamoyloxy)ethyl]-5-[(3 5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1h-imidazol-2-yl}propyl carbamate1H-Imidazole-2-propanol, 1-[2-[(aminocarbonyl)oxy]ethyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, carbamate (ester)SCHEMBL6971922DTXSID40170731YJDGZQFOGSWKBY-UHFFFAOYSA-N1-(2-carbamoyloxyethyl)-2-(3-carbamoyloxypropyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1H-imidazole3-[1-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]propyl carbamate3-{1-[2-(Carbamoyloxy)ethyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}propyl carbamate
Database identifiers
- CAS
178980-46-6- PubChem CID
- 474103
- DTXSID
DTXSID40170731
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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