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Basic information
- Standard SMILES
CNC(C)c1cc(Cl)c(OC)cc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1- InChIKey
NDCGOVVGDPQXFZ-UHFFFAOYSA-N- Molecular formula
- C21H26Cl2F3N5O2
- Average molar mass
- 508.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-[4-Chloro-5-methoxy-2-[1-(methylamino)ethyl]phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
- IUPAC
- 1-[4-[4-chloro-5-methoxy-2-[1-(methylamino)ethyl]phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Names & synonyms
SCHEMBL3464757SCHEMBL13164209NDCGOVVGDPQXFZ-UHFFFAOYSA-N1-[4-[4-chloro-5-methoxy-2-[1-(methylamino)ethyl]phenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Database identifiers
- PubChem CID
- 57840586
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Related reactions
1 records
Compound notes
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