1,2,3-Thiadiazole-4-carboxamide,n-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-n-[(3-methoxyphenyl)methyl]-
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Basic information
- CAS
605638-63-9- Standard SMILES
COc1cccc(CN(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)c1- InChIKey
XZKLXABSVHWFPQ-UHFFFAOYSA-N- Molecular formula
- C20H19FN4O3S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.11618982
Names & identifiers
- Preferred name
- 1,2,3-Thiadiazole-4-carboxamide,n-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-n-[(3-methoxyphenyl)methyl]-
- IUPAC
- N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]thiadiazole-4-carboxamide
- English name
- 1,2,3-Thiadiazole-4-carboxamide,N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-(9CI)
- Molecular formula
- C20H19FN4O3S
- Molecular weight
- 414.45
Names & synonyms
605638-63-91,2,3-thiadiazole-4-carboxamide,n-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-n-[(3-methoxyphenyl)methyl]-1,2,3-Thiadiazole-4-carboxamide, N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-1,2,3-Thiadiazole-4-carboxamide,N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]-(9CI)
Database identifiers
- CAS
605638-63-9- PubChem CID
- 3760406
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
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Compound notes
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