Basic information
- Standard SMILES
CCOCCCNCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)s1- InChIKey
MOZWPHQDWSLMAZ-UHFFFAOYSA-N- Molecular formula
- C26H36N4O4S2
- Average molar mass
- 532.7 g/mol
- Monoisotopic mass
- 532.21779799
Names & identifiers
- Preferred name
- 5-[5-({[3-(ethyloxy)propyl]amino}methyl)-2-thienyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[(3-ethoxypropylamino)methyl]thiophen-2-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL553300MOZWPHQDWSLMAZ-UHFFFAOYSA-N5-[5-({[3-(ethyloxy)propyl]amino}methyl)-2-thienyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732725
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 815
Related reactions
3 records
Compound notes
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