Basic information
- Standard SMILES
Cn1ccc2c(Nc3cc(N[C@@H]4CCCC[C@@H]4NC(=O)OC(C)(C)C)ccc3C#N)cccc21- InChIKey
QXUXTUVAFDDPTB-PKTZIBPZSA-N- Molecular formula
- C27H33N5O2
- Average molar mass
- 459.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (1S,2R)-2-(4-cyano-3-(1-methyl-1H-indol-4-ylamino)phenylamino)cyclohexylcarbamate
- IUPAC
- tert-butyl N-[(1S,2R)-2-[4-cyano-3-[(1-methylindol-4-yl)amino]anilino]cyclohexyl]carbamate
Names & synonyms
SCHEMBL5025880QXUXTUVAFDDPTB-PKTZIBPZSA-Ntert-butyl (1S,2R)-2-(4-cyano-3-(1-methyl-1H-indol-4-ylamino)phenylamino)cyclohexylcarbamate
Database identifiers
- PubChem CID
- 69283979
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 743
Related reactions
4 records
Compound notes
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