N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
Basic information
- CAS
3912-04-7- Standard SMILES
O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1cnsn1- InChIKey
HAXOAULHCGXJTM-UHFFFAOYSA-N- Molecular formula
- C25H27FN4O2S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.18387545
Names & identifiers
- Preferred name
- N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
- IUPAC
- N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1,2,5-thiadiazole-3-carboxamide
Names & synonyms
3912-04-7Oprea1_501507Oprea1_785347DTXSID90390422AKOS000700985N-[2-(Cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-phenylethyl)-1,2,5-thiadiazole-3-carboxamideST51212123N-CYCLOHEXYL-2-(4-FLUOROPHENYL)-2-[N-(2-PHENYLETHYL)-1-1,2,5-THIADIAZOL-3-YLFORMAMIDO]ACETAMIDE
Database identifiers
- CAS
3912-04-7- PubChem CID
- 3200693
- DTXSID
DTXSID90390422
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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