Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(N5CCN(C)CC5=O)cc4)cc23)CC1- InChIKey
REAJCPZFWYARQR-UHFFFAOYSA-N- Molecular formula
- C27H33N5O4S
- Average molar mass
- 523.6 g/mol
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[4-(4-methyl-2-oxo-1-piperazinyl)phenyl]-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552737REAJCPZFWYARQR-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-[4-(4-methyl-2-oxo-1-piperazinyl)phenyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732673
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 939
Related reactions
3 records
Compound notes
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