Basic information
- CAS
287928-01-2- Standard SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(/N)Cc1ccc(C(C)(C)C)cc1- InChIKey
LAHKFRZLZXRDSD-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2N3O3
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.111647
Names & identifiers
- Preferred name
- [(E)-[1-amino-2-(4-tert-butylphenyl)ethylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- [(E)-[1-amino-2-(4-tert-butylphenyl)ethylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
Bio6G3
Database identifiers
- CAS
287928-01-2- PubChem CID
- 6364720
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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