4-(4-Nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
Basic information
- CAS
25021-46-9- Standard SMILES
O=[N+]([O-])c1ccc(-c2csc(COc3ccccc3)n2)cc1- InChIKey
JPISOUWNGXSFFC-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.05686342
Names & identifiers
- Preferred name
- 4-(4-Nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
- IUPAC
- 4-(4-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
Names & synonyms
MLS00311547325021-46-94-(4-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazoleNSC277301CHEMBL2134240DTXSID70313790NSC-277301SMR001831049
Database identifiers
- CAS
25021-46-9- PubChem CID
- 321977
- DTXSID
DTXSID70313790- ChEMBL
CHEMBL2134240
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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