Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(CNCC(C)(C)C)s4)cc23)CC1- InChIKey
WITJMRKFLJESCC-UHFFFAOYSA-N- Molecular formula
- C26H36N4O3S2
- Average molar mass
- 516.7 g/mol
Names & identifiers
- Preferred name
- 5-(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[(2,2-dimethylpropylamino)methyl]thiophen-2-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL551643WITJMRKFLJESCC-UHFFFAOYSA-N5-(5-{[(2,2-dimethylpropyl)amino]methyl}-2-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732682
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 833
Related reactions
3 records
Compound notes
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