N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide
Basic information
- CAS
5851-22-9- Standard SMILES
CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)cc1OCC- InChIKey
AWDVFPYYZVLWSC-UHFFFAOYSA-N- Molecular formula
- C22H25N3O5S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.15149208
Names & identifiers
- Preferred name
- N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide
- IUPAC
- N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide
Names & synonyms
ST506310025851-22-9N-{5-[(3,4-DIMETHOXYPHENYL)METHYL]-1,3,4-THIADIAZOL-2-YL}-3,4-DIETHOXYBENZAMIDEN-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamideDTXSID90411242STK158787AKOS003331341N-[5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide(3,4-diethoxyphenyl)-N-{5-[(3,4-dimethoxyphenyl)methyl](1,3,4-thiadiazol-2-yl) }carboxamide
Database identifiers
- CAS
5851-22-9- PubChem CID
- 5223567
- DTXSID
DTXSID90411242
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 557
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