Basic information
- Standard SMILES
CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN5CCC[C@@H]5CO)c4)cc23)CC1- InChIKey
DFCLEYYDWPMXPA-OAQYLSRUSA-N- Molecular formula
- C27H36N4O4S2
- Average molar mass
- 544.7 g/mol
Names & identifiers
- Preferred name
- 5-(5-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552098DFCLEYYDWPMXPA-OAQYLSRUSA-N5-(5-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732666
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 905
Related reactions
10 records
Compound notes
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