Basic information
- CAS
303754-82-7- Standard SMILES
COC(=O)c1ccc(NC(=S)NC(NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)cc1- InChIKey
AVNFQZQFVKHCBC-UHFFFAOYSA-N- Molecular formula
- C18H15BrCl3N3O3S
- Average molar mass
- 539.7 g/mol
- Monoisotopic mass
- 536.90831
Names & identifiers
- Preferred name
- 4-(3-(1-(BR-Benzoylamino)-2,2,2-trichloro-ET)-thioureido)-benzoic acid ME ester
- IUPAC
- methyl 4-[[1-[(3-bromobenzoyl)amino]-2,2,2-trichloroethyl]carbamothioylamino]benzoate
Names & synonyms
AKOS0244191784-(3-(1-(BR-BENZOYLAMINO)-2,2,2-TRICHLORO-ET)-THIOUREIDO)-BENZOIC ACID ME ESTER
Database identifiers
- CAS
303754-82-7- PubChem CID
- 3692564
- EC Number
- 148-207-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…