Methyl 4-{[({2,2,2-trichloro-1-[(1-naphthylacetyl)amino]ethyl}amino)carbonothioyl]amino}benzoate
Basic information
- CAS
351003-95-7- Standard SMILES
COC(=O)c1ccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)cc1- InChIKey
CZHXUMMIQCROOK-UHFFFAOYSA-N- Molecular formula
- C23H20Cl3N3O3S
- Average molar mass
- 524.8 g/mol
- Monoisotopic mass
- 523.029096
Names & identifiers
- Preferred name
- Methyl 4-{[({2,2,2-trichloro-1-[(1-naphthylacetyl)amino]ethyl}amino)carbonothioyl]amino}benzoate
- IUPAC
- methyl 4-[[2,2,2-trichloro-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]carbamothioylamino]benzoate
Names & synonyms
Methyl 4-{[({2,2,2-trichloro-1-[(1-naphthylacetyl)amino]ethyl}amino)carbonothioyl]amino}benzoateCBDivE_003749AKOS0244191684-(3-(TRICHLORO-1-(NAPHTHALEN-YL-AC-AMINO)-ET)-THIOUREIDO)-BENZOIC ACID ME ESTER
Database identifiers
- CAS
351003-95-7- PubChem CID
- 2831471
- EC Number
- 148-188-4
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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