2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
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Basic information
- CAS
838812-13-8- Standard SMILES
Cc1nnc2sc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nn12- InChIKey
BFUGZXMKBDXPQQ-UHFFFAOYSA-N- Molecular formula
- C20H18ClN5O2S
- Average molar mass
- 427.9 g/mol
- Monoisotopic mass
- 427.0869737
Names & identifiers
- Preferred name
- 2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
- IUPAC
- 2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
- English name
- 2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
- Molecular formula
- C20H18ClN5O2S
- Molecular weight
- 427.90722
Names & synonyms
2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide2-(4-chlorophenoxy)-2-methyl-N-[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamideSTK212401AKOS000474290AP-970/43375985SR-01000300961SR-01000300961-1838812-13-8
Database identifiers
- CAS
838812-13-8- PubChem CID
- 2983693
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
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Compound notes
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