Basic information
- Standard SMILES
N#C/C(=N\OCc1csc(NC(=O)OCCc2ccccc2)n1)c1ccccc1- InChIKey
NZRCXRMXISWJPP-NCELDCMTSA-N- Molecular formula
- C21H18N4O3S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.10996162
Names & identifiers
- Preferred name
- 2-phenylethyl N-[4-[[(Z)-[cyano(phenyl)methylidene]amino]oxymethyl]-1,3-thiazol-2-yl]carbamate
- IUPAC
- 2-phenylethyl N-[4-[[(Z)-[cyano(phenyl)methylidene]amino]oxymethyl]-1,3-thiazol-2-yl]carbamate
Names & synonyms
SCHEMBL15067004
Database identifiers
- PubChem CID
- 89655758
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
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