N-(2-{[(2-Chlorophenyl)methyl]sulfanyl}ethyl)-N'-[4-(trifluoromethyl)phenyl]urea
Basic information
- CAS
261178-39-6- Standard SMILES
O=C(NCCSCc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1- InChIKey
OJKZRKIQWHIRSS-UHFFFAOYSA-N- Molecular formula
- C17H16ClF3N2OS
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.0623965
Names & identifiers
- Preferred name
- N-(2-{[(2-Chlorophenyl)methyl]sulfanyl}ethyl)-N'-[4-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-[4-(trifluoromethyl)phenyl]urea
Names & synonyms
Maybridge1_008006HMS564D20DTXSID401141267261178-39-6N-(2-{[(2-Chlorophenyl)methyl]sulfanyl}ethyl)-N'-[4-(trifluoromethyl)phenyl]ureaN-[2-[[(2-Chlorophenyl)methyl]thio]ethyl]-Na(2)-[4-(trifluoromethyl)phenyl]urea
Database identifiers
- CAS
261178-39-6- PubChem CID
- 2742009
- DTXSID
DTXSID401141267
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…