Basic information
- Standard SMILES
CC(C)(C)c1cnc(NC(=O)c2ccc(Sc3ccc(N)cc3)c([N+](=O)[O-])c2)s1- InChIKey
JTIDGUCYYVNATA-UHFFFAOYSA-N- Molecular formula
- C20H20N4O3S2
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.09768286
Names & identifiers
- Preferred name
- 4-(4-Amino-phenylsulfanyl)-N-(5-tert-butyl-thiazol-2-yl)-3-nitro-benzamide
- IUPAC
- 4-(4-aminophenyl)sulfanyl-N-(5-tert-butyl-1,3-thiazol-2-yl)-3-nitrobenzamide
Names & synonyms
SCHEMBL1456169JTIDGUCYYVNATA-UHFFFAOYSA-N4-(4-Amino-phenylsulfanyl)-N-(5-tert-butyl-thiazol-2-yl)-3-nitro-benzamide
Database identifiers
- PubChem CID
- 86615552
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
Related reactions
4 records
Compound notes
Loading…