Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=O)c2cc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc(OC(C)C)c2)nc1- InChIKey
YVZIKCDZIBXFOU-UHFFFAOYSA-N- Molecular formula
- C26H29N3O6S
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- methyl 2-{3-isopropyloxy-5-[(N-methyl) 4-toluenesulfonylaminomethyl]benzoyl}amino-5-pyridine carboxylate
- IUPAC
- methyl 6-[[3-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL5423663YVZIKCDZIBXFOU-UHFFFAOYSA-Nmethyl 2-{3-isopropyloxy-5-[(N-methyl) 4-toluenesulfonylaminomethyl]benzoyl}amino-5-pyridine carboxylate
Database identifiers
- PubChem CID
- 58780889
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 837
Related reactions
2 records
Compound notes
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