N4-{[3-(4-fluorophenyl)isoxazol-5-yl]methyl}-N2,N2-bis(4-methoxybenzyl)-5,6-dimethyl-3-nitropyridin-2,4-diamine
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Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)c(C)c(NCc3cc(-c4ccc(F)cc4)no3)c2[N+](=O)[O-])cc1- InChIKey
OLWJBYXXNICACM-UHFFFAOYSA-N- Molecular formula
- C33H32FN5O5
- Average molar mass
- 597.6 g/mol
Names & identifiers
- Preferred name
- N4-{[3-(4-fluorophenyl)isoxazol-5-yl]methyl}-N2,N2-bis(4-methoxybenzyl)-5,6-dimethyl-3-nitropyridin-2,4-diamine
- IUPAC
- 4-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-N,2-N-bis[(4-methoxyphenyl)methyl]-5,6-dimethyl-3-nitropyridine-2,4-diamine
Names & synonyms
SCHEMBL5461375OLWJBYXXNICACM-UHFFFAOYSA-NN4-{[3-(4-fluorophenyl)isoxazol-5-yl]methyl}-N2,N2-bis(4-methoxybenzyl)-5,6-dimethyl-3-nitropyridin-2,4-diamine
Database identifiers
- PubChem CID
- 69450751
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 849
Related reactions
4 records
Compound notes
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