Basic information
- Standard SMILES
CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)cs1- InChIKey
OCZTVYCEFKOXAG-UHFFFAOYSA-N- Molecular formula
- C10H10N4O4S
- Average molar mass
- 282.28 g/mol
Names & identifiers
- Preferred name
- 4-(4-Nitro-pyrazol-1-ylmethyl)-thiazole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[(4-nitropyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylate
Names & synonyms
SCHEMBL1166952OCZTVYCEFKOXAG-UHFFFAOYSA-N4-(4-Nitro-pyrazol-1-ylmethyl)-thiazole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66928895
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
4 records
Compound notes
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