Basic information
- Standard SMILES
CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1nc(-c2cnn(Cc3ccccc3)c2)sc1C(=O)OCC- InChIKey
WEMUQMGSTNEALA-UHFFFAOYSA-N- Molecular formula
- C30H34N4O6S
- Average molar mass
- 578.7 g/mol
Names & identifiers
- Preferred name
- 2-(1-Benzyl-1h-pyrazol-4-yl)-4-{[(2,4-dimethoxy-benzyl)-ethoxycarbonylmethyl-amino]-methyl}-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(1-benzylpyrazol-4-yl)-4-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL2886236WEMUQMGSTNEALA-UHFFFAOYSA-N2-(1-benzyl-1h-pyrazol-4-yl)-4-{[(2,4-dimethoxy-benzyl)-ethoxycarbonylmethyl-amino]-methyl}-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68428356
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 818
Related reactions
1 records
Compound notes
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