Basic information
- Standard SMILES
COc1cc(Nc2ncc(C(C)NC(=O)c3ccc4c(c3)OCO4)nn2)cc(OC)c1OC- InChIKey
MHRCVALUDYZHBS-UHFFFAOYSA-N- Molecular formula
- C22H23N5O6
- Average molar mass
- 453.4 g/mol
Names & identifiers
- Preferred name
- N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]-1,3-benzodioxole-5-carboxamide
Names & synonyms
SCHEMBL3994260MHRCVALUDYZHBS-UHFFFAOYSA-NN-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)-1,3-benzodioxole-5-carboxamide
Database identifiers
- PubChem CID
- 58712003
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 630
Related reactions
3 records
Compound notes
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