4-(2-((Tetradecanoylamino)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate
Basic information
- CAS
868569-32-8- Standard SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1- InChIKey
BFEXJJMSJAMWEG-GZZLJNBRSA-N- Molecular formula
- C31H43N3O4
- Average molar mass
- 521.7 g/mol
- Monoisotopic mass
- 521.32535686
Names & identifiers
- Preferred name
- 4-(2-((Tetradecanoylamino)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate
- IUPAC
- [4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Names & synonyms
AKOS0244140374-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Database identifiers
- CAS
868569-32-8- PubChem CID
- 9630632
- EC Number
- 136-543-6
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 703
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