(4-chlorophenyl)-[2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)indol-1-yl]methanone

CAS: 66354-91-4

Molecular Formula	`C23H16ClN5OS`
Molecular Weight	445.9 g/mol
LogP	5.4
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	445.07642
Heavy Atoms	31
Complexity	613.0

Chemical Identifiers

CAS Number	66354-91-4
SMILES	`C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl)SCC5=NNN=N5`
InChIKey	`RWTNVULKVQQHIR-UHFFFAOYSA-N`

📖 Product Overview

(4-chlorophenyl)-[2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)indol-1-yl]methanone (CAS: 66354-91-4) is a chemical compound with molecular formula C23H16ClN5OS and molecular weight 445.9 g/mol. Its IUPAC systematic name is (4-chlorophenyl)-[2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)indol-1-yl]methanone. LogP 5.4 Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 445.07642 Heavy Atoms 31 Complexity 613.0 InChI Key: RWTNVULKVQQHIR-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)Cl)SCC5=NNN=N5.

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