Basic information
- CAS
67652-38-4- Standard SMILES
CCCCN(CCCC)CCCOc1c(C)cc(C(=O)c2oc3ccccc3c(=O)c2C)cc1C.Cl- InChIKey
IQKCXRXHIZGQSM-UHFFFAOYSA-N- Molecular formula
- C30H40ClNO4
- Average molar mass
- 514.1 g/mol
- Monoisotopic mass
- 513.2645865
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(4-(3-(dibutylamino)propoxy)-3,5-dimethylbenzoyl)-3-methyl-, hydrochloride
- IUPAC
- 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]-3-methylchromen-4-one;hydrochloride
Names & synonyms
4H-1-Benzopyran-4-one, 2-(4-(3-(dibutylamino)propoxy)-3,5-dimethylbenzoyl)-3-methyl-, hydrochloride2-(4-(3-N,N-Dibutylaminopropoxy)-3,5-dimethylbenzoyl)-3-methylchromone hydrochloride67652-38-4DTXSID50217969RefChem:297249DTXCID501404602-{4-[3-(Dibutylamino)propoxy]-3,5-dimethylbenzoyl}-3-methyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
67652-38-4- PubChem CID
- 3051683
- DTXSID
DTXSID50217969
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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