N-(1-Benzothien-2-ylmethyl)-3-(8-chloro-3-phenylcinnolin-4-yl)aniline

HCID 11854827
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Basic information

Standard SMILES
Clc1cccc2c(-c3cccc(NCc4cc5ccccc5s4)c3)c(-c3ccccc3)nnc12
InChIKey
GSVXGWMDIVPBTP-UHFFFAOYSA-N
Molecular formula
C29H20ClN3S
Average molar mass
478 g/mol

Names & identifiers

Preferred name
N-(1-Benzothien-2-ylmethyl)-3-(8-chloro-3-phenylcinnolin-4-yl)aniline
IUPAC
N-(1-benzothiophen-2-ylmethyl)-3-(8-chloro-3-phenylcinnolin-4-yl)aniline

Names & synonyms

SCHEMBL3278047GSVXGWMDIVPBTP-UHFFFAOYSA-NN-(1-Benzothien-2-ylmethyl)-3-(8-chloro-3-phenylcinnolin-4-yl)aniline

Database identifiers

PubChem CID
11854827

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
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Linked notes

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