Basic information
- Standard SMILES
COc1ccc(Cl)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCCCC1- InChIKey
GXWMKPAKDYSENT-UHFFFAOYSA-N- Molecular formula
- C25H31ClN4O3S
- Average molar mass
- 503.1 g/mol
Names & identifiers
- Preferred name
- [1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclohexyl] acetate
- IUPAC
- [1-[[5-tert-butyl-2-[C-(5-chloro-2-methoxyphenyl)-N-cyanocarbonimidoyl]imino-1,3-thiazol-3-yl]methyl]cyclohexyl] acetate
Names & synonyms
SCHEMBL943742SCHEMBL943743SCHEMBL943745
Database identifiers
- PubChem CID
- 87179357
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
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