{(S)-1-[1-(2H-Chromen-3-yl)-meth-(E)-ylidene-hydrazinocarbonyl]-ethyl}-carbamic acid tert-butyl ester
Basic information
- CAS
1173675-49-4- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1- InChIKey
OGYYZPWGOHFENO-NJDFMEINSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- {(S)-1-[1-(2H-Chromen-3-yl)-meth-(E)-ylidene-hydrazinocarbonyl]-ethyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]carbamate
Names & synonyms
1173675-49-4MLS000333634CHEMBL3193398DTXSID701320907AKOS032385472{(S)-1-[1-(2H-Chromen-3-yl)-meth-(E)-ylidene-hydrazinocarbonyl]-ethyl}-carbamic acid tert-butyl esterSMR000437727(S,E)-tert-butyl (1-(2-((2H-chromen-3-yl)methylene)hydrazinyl)-1-oxopropan-2-yl)carbamatetert-Butyl [(2S)-1-{(2E)-2-[(2H-1-benzopyran-3-yl)methylidene]hydrazinyl}-1-oxopropan-2-yl]carbamatetert-butyl N-[(2S)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-1-oxopropan-2-yl]carbamate
Database identifiers
- CAS
1173675-49-4- PubChem CID
- 9702559
- DTXSID
DTXSID701320907- ChEMBL
CHEMBL3193398
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
Solubility5.3 [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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