1-[3-[(N-Benzyl pyrrolidin-3-yl)carbamoyl]phenylcarbamoyl]-5-methylthio-6-trifluoromethyl indoline

HCID 21833071
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Basic information

Standard SMILES
CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)NC3CCN(Cc4ccccc4)C3)c1)CC2
InChIKey
CERAFINGKAASHQ-UHFFFAOYSA-N
Molecular formula
C29H29F3N4O2S
Average molar mass
554.6 g/mol

Names & identifiers

Preferred name
1-[3-[(N-Benzyl pyrrolidin-3-yl)carbamoyl]phenylcarbamoyl]-5-methylthio-6-trifluoromethyl indoline
IUPAC
N-[3-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

Names & synonyms

1-[3-[(N-Benzyl pyrrolidin-3-yl)carbamoyl]phenylcarbamoyl]-5-methylthio-6-trifluoromethyl indolineSCHEMBL8472386

Database identifiers

PubChem CID
21833071

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
90 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
39

Related reactions

2 records
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Compound notes

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