Basic information
- Standard SMILES
CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCN(S(=O)(=O)C5CC5)CC4)cc3c2)CC1- InChIKey
MXIWMQDLZBEPGH-UHFFFAOYSA-N- Molecular formula
- C24H33N5O4S
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.22532572
Names & identifiers
- Preferred name
- (4-Cyclopropanesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone
- IUPAC
- [2-(4-cyclopropylsulfonylpiperazine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL3166397MXIWMQDLZBEPGH-UHFFFAOYSA-N(4-Cyclopropanesulfonyl-piperazin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone
Database identifiers
- PubChem CID
- 68535679
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 870
Related reactions
7 records
Compound notes
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