Basic information
- Standard SMILES
CCOC(=O)C=CCC(c1cc2nn(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O- InChIKey
ZUDVYSLFKYCXCL-UHFFFAOYSA-N- Molecular formula
- C27H31N3O5S
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.19844227
Names & identifiers
- Preferred name
- racemic ethyl 5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)-2H-indazol-6-yl]-5-(methylsulfonyl)pent-2-enoate
- IUPAC
- ethyl 5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)indazol-6-yl]-5-methylsulfonylpent-2-enoate
Names & synonyms
SCHEMBL9106275ZUDVYSLFKYCXCL-UHFFFAOYSA-Nracemic ethyl 5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)-2H-indazol-6-yl]-5-(methylsulfonyl)pent-2-enoate
Database identifiers
- PubChem CID
- 67775017
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
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