Basic information
- Standard SMILES
CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CO)nc3)s2)o1- InChIKey
VBBKILMXTAXBPH-UHFFFAOYSA-N- Molecular formula
- C19H22N4O3S2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.11333292
Names & identifiers
- Preferred name
- N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[6-(hydroxymethyl)-3-pyridinyl]acetamide
- IUPAC
- N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[6-(hydroxymethyl)-3-pyridinyl]acetamide
Names & synonyms
SCHEMBL6224455
Database identifiers
- PubChem CID
- 22006985
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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