1H-Imidazole-2-ethanol, 1-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)
Basic information
- CAS
178980-36-4- Standard SMILES
CC(C)c1nc(CCOC(N)=O)n(Cc2cccc(N)c2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
NBXWCOBOGURGMI-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2N4O2S
- Average molar mass
- 479.4 g/mol
- Monoisotopic mass
- 478.0997026
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 1-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)
- IUPAC
- 2-[1-[(3-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate
Names & synonyms
178980-36-41H-Imidazole-2-ethanol, 1-((3-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)1H-Imidazole-2-ethanol, 1-[(3-aminophenyl)methyl]-5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-, carbamate (ester)SCHEMBL6973223DTXSID301707252-[1-[(3-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]ethyl carbamate2-{1-[(3-Aminophenyl)methyl]-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethyl carbamate
Database identifiers
- CAS
178980-36-4- PubChem CID
- 474073
- DTXSID
DTXSID30170725
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…