Basic information
- Standard SMILES
CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc(NC(=O)OC(C)(C)C)cn4)c3)cc2C(F)(F)F)CC1- InChIKey
MHBPXTREXPVOLJ-UHFFFAOYSA-N- Molecular formula
- C32H40F3N7O3
- Average molar mass
- 627.7 g/mol
- Monoisotopic mass
- 627.31447265
Names & identifiers
- Preferred name
- Tert-butyl 5-((5-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamido)-2-methylphenylamino)methyl)pyrazin-2-ylcarbamate
- IUPAC
- tert-butyl N-[5-[[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylanilino]methyl]pyrazin-2-yl]carbamate
Names & synonyms
tert-butyl 5-((5-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamido)-2-methylphenylamino)methyl)pyrazin-2-ylcarbamateSCHEMBL2228555
Database identifiers
- PubChem CID
- 67325813
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 957
Related reactions
1 records
Compound notes
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