Basic information
- Standard SMILES
CCCCCCNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1- InChIKey
FLXSFRHJSKKABT-UHFFFAOYSA-N- Molecular formula
- C27H38N4O3S2
- Average molar mass
- 530.7 g/mol
- Monoisotopic mass
- 530.23853343
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-{5-[(hexylamino)methyl]-2-thienyl}-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[(hexylamino)methyl]thiophen-2-yl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552467FLXSFRHJSKKABT-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-{5-[(hexylamino)methyl]-2-thienyl}-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732777
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 812
Related reactions
3 records
Compound notes
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