Basic information
- Standard SMILES
COc1ccc(Cn2cc(-c3ccnc(SC)n3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1- InChIKey
ICSGIWQJRKNWPI-UHFFFAOYSA-N- Molecular formula
- C22H19N5O3S
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-(methylsulfanyl)-pyrimidine
- IUPAC
- 4-[1-[(4-methoxyphenyl)methyl]-3-(3-nitrophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
Names & synonyms
SCHEMBL1847766ICSGIWQJRKNWPI-UHFFFAOYSA-N4-[1-(4-methoxybenzyl)-3-(3-nitrophenyl)-1H-pyrazol-4-yl]-2-(methylsulfanyl)-pyrimidine
Database identifiers
- PubChem CID
- 67184497
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 586
Related reactions
2 records
Compound notes
Loading…