Basic information
- Standard SMILES
CCOC(=O)C1CCC(Nc2nccc(-n3ncc4c(OCCS(C)(=O)=O)cccc43)n2)CC1- InChIKey
OZFHIUNFMBVFQD-UHFFFAOYSA-N- Molecular formula
- C23H29N5O5S
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.18894022
Names & identifiers
- Preferred name
- 4-{4-[4-(2-Methanesulfonyl-ethoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexanecarboxylic acid ethyl ester
- IUPAC
- ethyl 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL14834311SCHEMBL15457491OZFHIUNFMBVFQD-UHFFFAOYSA-N4-{4-[4-(2-Methanesulfonyl-ethoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58542172
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 770
Related reactions
1 records
Compound notes
Loading…