2-(2,4-Dichlorophenoxy)-N-[(tricyclo[3.3.1.1~3,7~]decan-2-yl)carbamothioyl]propanamide
Basic information
- CAS
5319-16-4- Standard SMILES
CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NC1C2CC3CC(C2)CC1C3- InChIKey
IMWHGYBSZZVLLN-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2O2S
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 426.0935546
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenoxy)-N-[(tricyclo[3.3.1.1~3,7~]decan-2-yl)carbamothioyl]propanamide
- IUPAC
- N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
Names & synonyms
5319-16-4DTXSID60411557AKOS0004436552-(2,4-Dichlorophenoxy)-N-[(tricyclo[3.3.1.1~3,7~]decan-2-yl)carbamothioyl]propanamideN-[(Adamantan-2-yl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
Database identifiers
- CAS
5319-16-4- PubChem CID
- 5227835
- DTXSID
DTXSID60411557
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…