Basic information
- Standard SMILES
Cc1c(Cc2c(Cl)cccc2Cl)c(=O)oc2cc(OC(=O)N(C)c3ccccc3)c(Cl)cc12- InChIKey
HWUGJKUUCPEAHT-UHFFFAOYSA-N- Molecular formula
- C25H18Cl3NO4
- Average molar mass
- 502.8 g/mol
- Monoisotopic mass
- 501.030141
Names & identifiers
- Preferred name
- Methyl-phenyl-carbamic Acid 3-(2,6-dichloro-benzyl)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl Ester
- IUPAC
- [6-chloro-3-[(2,6-dichlorophenyl)methyl]-4-methyl-2-oxochromen-7-yl] N-methyl-N-phenylcarbamate
Names & synonyms
SCHEMBL5650302HWUGJKUUCPEAHT-UHFFFAOYSA-NMethyl-phenyl-carbamic Acid 3-(2,6-dichloro-benzyl)-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl Ester
Database identifiers
- PubChem CID
- 10311337
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
3 records
Compound notes
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