2-Meo-N-(2,2,2-trichloro-1-(3-(4-meo-2-nitro-PH)-thioureido)-ethyl)-benzamide
Basic information
- CAS
319429-53-3- Standard SMILES
COc1ccc(NC(=S)NC(NC(=O)c2ccccc2OC)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1- InChIKey
XGYBVJCITQZDHA-UHFFFAOYSA-N- Molecular formula
- C18H17Cl3N4O5S
- Average molar mass
- 507.8 g/mol
- Monoisotopic mass
- 505.998524
Names & identifiers
- Preferred name
- 2-Meo-N-(2,2,2-trichloro-1-(3-(4-meo-2-nitro-PH)-thioureido)-ethyl)-benzamide
- IUPAC
- 2-methoxy-N-[2,2,2-trichloro-1-[(4-methoxy-2-nitrophenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
AKOS001569505AKOS0219836882-MEO-N-(2,2,2-TRICHLORO-1-(3-(4-MEO-2-NITRO-PH)-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
319429-53-3- PubChem CID
- 4246337
- EC Number
- 148-309-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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