Basic information
- Standard SMILES
CCCCNc1nc(C)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1- InChIKey
WNDPYYFGKFFYJH-UHFFFAOYSA-N- Molecular formula
- C15H16ClN3O3S
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-nitro-1-(4-methyl-2-n-butylamino-5-thiazoloyl)-benzene
- IUPAC
- [2-(butylamino)-4-methyl-1,3-thiazol-5-yl]-(4-chloro-3-nitrophenyl)methanone
Names & synonyms
SCHEMBL10958069WNDPYYFGKFFYJH-UHFFFAOYSA-N4-chloro-3-nitro-1-(4-methyl-2-n-butylamino-5-thiazoloyl)-benzene
Database identifiers
- PubChem CID
- 13151125
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
2 records
Compound notes
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