[6-Bromo-1-isopropyl-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-[4-(piperidine-1-sulfonyl)-piperazin-1-yl]-methanone

HCID 68565698
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Basic information

Standard SMILES
CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCN(S(=O)(=O)N5CCCCC5)CC4)n(C(C)C)c3cc2Br)CC1
InChIKey
DQCCFKPDTYSIOI-UHFFFAOYSA-N
Molecular formula
C29H44BrN5O4S
Average molar mass
638.7 g/mol
Monoisotopic mass
637.22974

Names & identifiers

Preferred name
[6-Bromo-1-isopropyl-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-[4-(piperidine-1-sulfonyl)-piperazin-1-yl]-methanone
IUPAC
[6-bromo-1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone

Names & synonyms

SCHEMBL3248249DQCCFKPDTYSIOI-UHFFFAOYSA-N[6-Bromo-1-isopropyl-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-[4-(piperidine-1-sulfonyl)-piperazin-1-yl]-methanone

Database identifiers

PubChem CID
68565698

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
86.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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