tert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]carbamate
Basic information
- CAS
587006-27-7- Standard SMILES
CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O- InChIKey
CTNYGHVYNHBOIS-YDZHTSKRSA-N- Molecular formula
- C21H27N3O5
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.19507097
Names & identifiers
- Preferred name
- tert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]carbamate
- IUPAC
- tert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]carbamate
Names & synonyms
MLS000333712CHEMBL3199042PubChem SID: 26667032DTXSID101320923STL234355AKOS025274255tert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]carbamate587006-27-7SMR000437899(E)-tert-butyl (6-oxo-6-(2-((4-oxo-4H-chromen-3-yl)methylene)hydrazinyl)hexyl)carbamatetert-butyl N-[6-oxo-6-[(2E)-2-[(4-oxochromen-3-yl)methylene]hydrazino]hexyl]carbamate{5-[1-(4-Oxo-4H-chromen-3-yl)-meth-(E)-ylidene-hydrazinocarbonyl]-pentyl}-carbamic acid tert-butyl ester
Show more names
tert-Butyl (6-oxo-6-{(2E)-2-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}hexyl)carbamatetert-butyl (6-oxo-6-{(2E)-2-[(4-oxo-4H-chromen-3-yl)methylidene]hydrazinyl}hexyl)carbamate
Database identifiers
- CAS
587006-27-7- PubChem CID
- 6890797
- DTXSID
DTXSID101320923- ChEMBL
CHEMBL3199042
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Experimental & physicochemical properties
Solubility15.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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