Basic information
- Standard SMILES
CC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)c2c(ccnc2OC(C)C)N1- InChIKey
HOVXHSHAXPTANC-UHFFFAOYSA-N- Molecular formula
- C20H19F3N2O3
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- (+)-1,4-Dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid
- IUPAC
- 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
Names & synonyms
(+)-1,4-Dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acidSCHEMBL9198365(+/-)-1,4-dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid(-)-1,4-Dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 13670941
- Nikkaji
- J472.267A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Related reactions
11 records
Compound notes
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