Basic information
- Standard SMILES
COc1ccc(CN(c2nncs2)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(OC)c1- InChIKey
YWPZQCLOKXRXHR-UHFFFAOYSA-N- Molecular formula
- C18H16N4O6S2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.05112659
Names & identifiers
- Preferred name
- N-(2,4-dimethoxybenzyl)-2-oxo-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-N-(1,3,4-thiadiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
Names & synonyms
SCHEMBL15202004YWPZQCLOKXRXHR-UHFFFAOYSA-NN-(2,4-dimethoxybenzyl)-2-oxo-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
Database identifiers
- PubChem CID
- 89761668
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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