Basic information
- Standard SMILES
CCOC(=O)c1nc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)cs1- InChIKey
RVAUUGMFOSMRNZ-UHFFFAOYSA-N- Molecular formula
- C18H17ClN4O4S
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.0659039
Names & identifiers
- Preferred name
- 4-[4-(2-Chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-thiazole-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]methyl]-1,3-thiazole-2-carboxylate
Names & synonyms
SCHEMBL1166944RVAUUGMFOSMRNZ-UHFFFAOYSA-N4-[4-(2-chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-thiazole-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66928889
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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