Basic information
- CAS
6573-86-0- Standard SMILES
CCC(C)C(C)=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1- InChIKey
KCEULTKIUOAHCQ-UHFFFAOYSA-N- Molecular formula
- C21H23N3OS2
- Average molar mass
- 397.6 g/mol
- Monoisotopic mass
- 397.12825471
Names & identifiers
- Preferred name
- 4-{[(1,3-Benzothiazol-2-yl)sulfanyl]methyl}-N'-(3-methylpentan-2-ylidene)benzohydrazide
- IUPAC
- 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylpentan-2-ylideneamino)benzamide
Names & synonyms
6573-86-0DTXSID40409997HMS2543O22AKOS0344106534-{[(1,3-Benzothiazol-2-yl)sulfanyl]methyl}-N'-(3-methylpentan-2-ylidene)benzohydrazide
Database identifiers
- CAS
6573-86-0- PubChem CID
- 5207751
- DTXSID
DTXSID40409997
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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