Basic information
- Standard SMILES
CCCCCCCCCCCCCCC(C)(C)CC(=O)Oc1cc(C(=O)CNC(C)C)ccc1OC(=O)c1ccc(C)c(OC)c1Cl- InChIKey
FZNBANWRHZASDO-UHFFFAOYSA-N- Molecular formula
- C39H58ClNO6
- Average molar mass
- 672.3 g/mol
- Monoisotopic mass
- 671.3952663
Names & identifiers
- Preferred name
- 3-(3,3-Dimethylheptadecanoyloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone
- IUPAC
- [2-(3,3-dimethylheptadecanoyloxy)-4-[2-(propan-2-ylamino)acetyl]phenyl] 2-chloro-3-methoxy-4-methylbenzoate
Names & synonyms
SCHEMBL11282372FZNBANWRHZASDO-UHFFFAOYSA-N3-(3,3-dimethylheptadecanoyloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone
Database identifiers
- PubChem CID
- 20535461
Properties
Computed structural properties
- XLogP
- 12.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 25
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 910
Related reactions
3 records
Compound notes
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