3-Meo-N-(2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ET)benzamide
Basic information
- CAS
314750-90-8- Standard SMILES
COc1cccc(C(=O)NC(NC(=S)Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)c1- InChIKey
KKOAMPZXESZUHH-UHFFFAOYSA-N- Molecular formula
- C17H14Cl5N3O2S
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 498.924936
Names & identifiers
- Preferred name
- 3-Meo-N-(2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)ET)benzamide
- IUPAC
- 3-methoxy-N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]benzamide
- English name
- 3-MeO-N-(2,2,2-trichloro-1-(((2,5-dichloroanilino)carbothioyl)amino)Et)benzamide
- Molecular formula
- C17H14Cl5N3O2S
- Molecular weight
- 501.64
Names & synonyms
CBMicro_002234SMSF0014340AKOS002686855CB04103BIM-0002232.P0013-MEO-N-(2,2,2-TRICHLORO-1-(((2,5-DICHLOROANILINO)CARBOTHIOYL)AMINO)ET)BENZAMIDE3-methoxy-N-[2,2,2-trichloro-1-({[(2,5-dichlorophenyl)amino]carbonothioyl}amino)ethyl]benzamideBenzamide, 3-methoxy-N-[2,2,2-trichloro-1-[[[(2,5-dichlorophenyl)amino]thioxomethyl]amino]ethyl]-
Database identifiers
- CAS
314750-90-8- PubChem CID
- 2887249
- EC Number
- 126-742-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Density
- 1.553 · 1.553±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.132 · 8.132±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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