2-Methoxy-N-(2,2,2-trichloro-1-(3-O-tolyl-thioureido)-ethyl)-benzamide
Basic information
- CAS
303753-97-1- Standard SMILES
COc1ccccc1C(=O)NC(NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl- InChIKey
BIICPAZYPJCAST-UHFFFAOYSA-N- Molecular formula
- C18H18Cl3N3O2S
- Average molar mass
- 446.8 g/mol
- Monoisotopic mass
- 445.018531
Names & identifiers
- Preferred name
- 2-Methoxy-N-(2,2,2-trichloro-1-(3-O-tolyl-thioureido)-ethyl)-benzamide
- IUPAC
- 2-methoxy-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide
- English name
- 2-Methoxy-N-(2,2,2-trichloro-1-(3-o-tolyl-thioureido)-ethyl)-benzamide
- Molecular weight
- 0
Names & synonyms
AKOS0244192222-METHOXY-N-(2,2,2-TRICHLORO-1-(3-O-TOLYL-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
303753-97-1- PubChem CID
- 3540463
- EC Number
- 148-257-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…