Basic information
- Standard SMILES
COC(=Nc1cc(C)ccc1C)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1- InChIKey
HTVYWYLUPKNGON-UHFFFAOYSA-N- Molecular formula
- C27H30N4O2S
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- methyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazoly)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarboximidate
- IUPAC
- methyl N-(2,5-dimethylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboximidate
Names & synonyms
SCHEMBL251433SCHEMBL251434HTVYWYLUPKNGON-UHFFFAOYSA-Nmethyl 4-[4-(4,5-dihydro-5-phenyl-3-isoxazoly)-2-thiazolyl]-N-(2,5-dimethylphenyl)-1-piperidinecarboximidate
Database identifiers
- PubChem CID
- 66633372
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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