Basic information
- Standard SMILES
N#Cc1nn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c2ccccc12- InChIKey
MPSBEZVSIHTYEB-UHFFFAOYSA-N- Molecular formula
- C19H17N5O2S
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-(3-Cyanoindazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
- IUPAC
- 2-[[2-(3-cyanoindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
SCHEMBL3453290MPSBEZVSIHTYEB-UHFFFAOYSA-N2-(2-(3-cyanoindazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59520455
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 649
Related reactions
2 records
Compound notes
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