Basic information
- Standard SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1N(CCC1CC1)C(=O)CC1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1- InChIKey
ASGINGMVIOBKTG-GVAOLFSASA-N- Molecular formula
- C25H34N4O7S2
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.18689178
Names & identifiers
- Preferred name
- (1S,2R,3S,4R)-3-{(2-cyclopropyl-ethyl)-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
- IUPAC
- ethyl (1S,2R,3S,4R)-3-[2-cyclopropylethyl-[2-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
SCHEMBL393601ASGINGMVIOBKTG-GVAOLFSASA-N(1S,2R,3S,4R)-3-{(2-cyclopropyl-ethyl)-[2-(7-methanesulfonylamino-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66674635
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
12 records
Compound notes
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