C30H22Cl2N4O5
Basic information
- CAS
937604-54-1- Standard SMILES
CC(=NOC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1- InChIKey
JOTRMBBWAXOMKE-UHFFFAOYSA-N- Molecular formula
- C30H22Cl2N4O5
- Average molar mass
- 589.4 g/mol
- Monoisotopic mass
- 588.0967252
Names & identifiers
- Preferred name
- C30H22Cl2N4O5
- IUPAC
- [1-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
C30H22Cl2N4O5DTXSID401101732MMB60454[1-[4-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate1-aza-2-(4-((3-(2-chlorophenyl)-5-methylisoxazol-4-yl)carbonylamino)phenyl)prop-1-enyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carbox ylate3-(2-Chlorophenyl)-N-[4-[1-[[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]oxy]imino]ethyl]phenyl]-5-methyl-4-isoxazolecarboxamide
Database identifiers
- CAS
937604-54-1- PubChem CID
- 4094513
- DTXSID
DTXSID401101732
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 948
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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