1H-Indole, 5-methoxy-2-(4-methoxyphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-
Basic information
- CAS
66355-06-4- Standard SMILES
COc1ccc(-c2[nH]c3ccc(OC)cc3c2SCc2nn[nH]n2)cc1- InChIKey
RZSKANGVWOPCHS-UHFFFAOYSA-N- Molecular formula
- C18H17N5O2S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.11029598
Names & identifiers
- Preferred name
- 1H-Indole, 5-methoxy-2-(4-methoxyphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-
- IUPAC
- 5-methoxy-2-(4-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
- English name
- 5-Methoxy-2-(4-methoxyphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole
- Molecular formula
- C18H17N5O2S
- Molecular weight
- 367.42
Names & synonyms
66355-06-4LCG 20148BRN 11786375-Methoxy-2-(4-methoxyphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-1H-indole1H-INDOLE, 5-METHOXY-2-(4-METHOXYPHENYL)-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-DTXSID50216578RefChem:238835DTXCID801390695-Methoxy-2-(4-methoxyphenyl)-3-{[(2H-tetrazol-5-yl)methyl]sulfanyl}-1H-indoleLCG-201485-Methoxy-2-(4-methoxyphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole1H-Indole, 5-methoxy-2-(4-methoxyphenyl)-3-[(2H-tetrazol-5-ylmethyl)thio]-
Database identifiers
- CAS
66355-06-4- PubChem CID
- 47907
- DTXSID
DTXSID50216578- Nikkaji
- J64.789F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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