4-(Trifluoromethyl)benzoic acid 2-[[2-[(4-methylphenyl)sulfonyl]-5-thiazolyl]methylene]hydrazide
Basic information
- CAS
478032-37-0- Standard SMILES
Cc1ccc(S(=O)(=O)c2ncc(C=NNC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1- InChIKey
LVOBONRNFLGBIY-UHFFFAOYSA-N- Molecular formula
- C19H14F3N3O3S2
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.04286815
Names & identifiers
- Preferred name
- 4-(Trifluoromethyl)benzoic acid 2-[[2-[(4-methylphenyl)sulfonyl]-5-thiazolyl]methylene]hydrazide
- IUPAC
- N-[[2-(4-methylphenyl)sulfonyl-1,3-thiazol-5-yl]methylideneamino]-4-(trifluoromethyl)benzamide
Names & synonyms
DTXSID7011163064-(Trifluoromethyl)benzoic acid 2-[[2-[(4-methylphenyl)sulfonyl]-5-thiazolyl]methylene]hydrazideN'-{[2-(4-Methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]methylidene}-4-(trifluoromethyl)benzohydrazide
Database identifiers
- CAS
478032-37-0- PubChem CID
- 3676919
- DTXSID
DTXSID701116306
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
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Compound notes
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