Basic information
- Standard SMILES
CSc1nn(-c2ccccc2)c2cc(NC(=O)NC3CCN(C(=O)OC(C)(C)C)C3)ccc12- InChIKey
PVLHUTAKSKVIDZ-UHFFFAOYSA-N- Molecular formula
- C24H29N5O3S
- Average molar mass
- 467.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-(3-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)ureido)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(3-methylsulfanyl-1-phenylindazol-6-yl)carbamoylamino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2548657PVLHUTAKSKVIDZ-UHFFFAOYSA-Ntert-butyl 3-(3-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)ureido)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67448228
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 696
Related reactions
2 records
Compound notes
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