Basic information
- Standard SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2OC[C@H]2CO2)c1=O- InChIKey
AWALWNKZSNMUIE-LJQANCHMSA-N- Molecular formula
- C27H29FN4O4
- Average molar mass
- 492.5 g/mol
Names & identifiers
- Preferred name
- N-Cyclopropyl-3-fluoro-4-methyl-5-[3-({1-methyl-1-[2-(2R)-(oxiran-2-ylmethoxy)phenyl]ethyl}amino)-2-oxopyrazin-1(2H)-yl]benzamide
- IUPAC
- N-cyclopropyl-3-fluoro-4-methyl-5-[3-[2-[2-[[(2R)-oxiran-2-yl]methoxy]phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzamide
Names & synonyms
SCHEMBL447408AWALWNKZSNMUIE-LJQANCHMSA-NN-Cyclopropyl-3-fluoro-4-methyl-5-[3-({1-methyl-1-[2-(2R)-(oxiran-2-ylmethoxy)phenyl]ethyl}amino)-2-oxopyrazin-1(2H)-yl]benzamide
Database identifiers
- PubChem CID
- 86663255
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 904
Related reactions
3 records
Compound notes
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