(4-Benzenesulfonyl-piperazin-1-yl)-[1-isopropyl-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

HCID 68536609

Notes Reactions

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Basic information

Standard SMILES: CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(=O)(=O)c4ccccc4)CC2)n3C(C)C)CC1
InChIKey: DEXHHEDQXYXOLJ-UHFFFAOYSA-N
Molecular formula: C30H39N5O4S
Average molar mass: 565.7 g/mol

Names & identifiers

Preferred name: (4-Benzenesulfonyl-piperazin-1-yl)-[1-isopropyl-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone
IUPAC: [2-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylindol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Names & synonyms

SCHEMBL3169743DEXHHEDQXYXOLJ-UHFFFAOYSA-N(4-Benzenesulfonyl-piperazin-1-yl)-[1-isopropyl-5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

Database identifiers

PubChem CID: 68536609

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 40
Formal charge: 0
Complexity: 992

Related reactions

2 records

New reaction record

HRID 290373As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1992474As productuspto-grants-2010_01

Compound notes

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