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Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN5CC[C@H](N(C)C)C5)c4)cc23)CC1- InChIKey
STSQGJHHOIRFQY-NRFANRHFSA-N- Molecular formula
- C27H37N5O3S2
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.23378241
Names & identifiers
- Preferred name
- 5-(5-{[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL551888STSQGJHHOIRFQY-NRFANRHFSA-N5-(5-{[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732659
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 904
Related reactions
2 records
Compound notes
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