Basic information
- Standard SMILES
COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CNC(=O)C(C)NC(=O)OC(C)(C)C)n1- InChIKey
KVECYEXNFTUSBC-UHFFFAOYSA-N- Molecular formula
- C27H31F3N6O5
- Average molar mass
- 576.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[1-[[6-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
- IUPAC
- tert-butyl N-[1-[[6-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL5070488
Database identifiers
- PubChem CID
- 69300916
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 902
Related reactions
2 records
Compound notes
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