Basic information
- Standard SMILES
Cc1ccc(COc2nsc(NC(=O)NCCCCCNC(C)C)c2C(N)=O)c(F)c1- InChIKey
AMLIAESKGXHWSE-UHFFFAOYSA-N- Molecular formula
- C21H30FN5O3S
- Average molar mass
- 451.6 g/mol
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-methyl-benzyloxy)-5-[3-(5-isopropylamino-pentyl)-ureido]-isothiazole-4-carboxylic acid amide
- IUPAC
- 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxamide
Names & synonyms
SCHEMBL377855AMLIAESKGXHWSE-UHFFFAOYSA-N3-(2-Fluoro-4-methyl-benzyloxy)-5-[3-(5-isopropylamino-pentyl)-ureido]-isothiazole-4-carboxylic acid amide
Database identifiers
- PubChem CID
- 9868449
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 571
Related reactions
4 records
Compound notes
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