Basic information
- Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1-n1cc(Cl)nc(NCc2ccccc2)c1=O- InChIKey
XVGSVCOQPMQQKI-UHFFFAOYSA-N- Molecular formula
- C22H21ClN4O2
- Average molar mass
- 408.9 g/mol
- Monoisotopic mass
- 408.1353036
Names & identifiers
- Preferred name
- 3-[5-Chloro-2-oxo-3-[(phenylmethyl)amino]-1(2H)-pyrazinyl]-N-cyclopropyl-4-methyl-benzamide
- IUPAC
- 3-[3-(benzylamino)-5-chloro-2-oxopyrazin-1-yl]-N-cyclopropyl-4-methylbenzamide
Names & synonyms
SCHEMBL436910XVGSVCOQPMQQKI-UHFFFAOYSA-N3-[5-Chloro-2-oxo-3-[(phenylmethyl)amino]-1(2H)-pyrazinyl]-N-cyclopropyl-4-methyl-benzamide3-[5-Chloro-2-oxo-3-[(phenylmethyl)amino]-1(2H)-pyrazinyl]-N-cyclopropyl-4-methylbenzamide
Database identifiers
- PubChem CID
- 66685992
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 697
Related reactions
3 records
Compound notes
Loading…