Basic information
- Standard SMILES
O=C(NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc32)c1)C1COCCN1.O=CO- InChIKey
VOMNVECKPIKEGA-UHFFFAOYSA-N- Molecular formula
- C25H26ClN5O7S2
- Average molar mass
- 608.1 g/mol
Names & identifiers
- Preferred name
- n-({3-[(3-{[(5-Chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1h-indazol-1-yl)methyl]phenyl}methyl)-3-morpholinecarboxamide formate salt
- IUPAC
- N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-hydroxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide;formic acid
Names & synonyms
SCHEMBL356073VOMNVECKPIKEGA-UHFFFAOYSA-Nn-({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1h-indazol-1-yl)methyl]phenyl}methyl)-3-morpholinecarboxamide formate salt
Database identifiers
- PubChem CID
- 136346359
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 906
Related reactions
3 records
Compound notes
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