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Home > Indoles and Oxindole > 66354-98-1
66354-98-1 | 6-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS No: 66354-98-1 Catalog No: AG006N9F MDL No:
Product Description
Catalog Number:
AG006N9F
Chemical Name:
6-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS Number:
66354-98-1
Molecular Formula:
C17H15N5OS
Molecular Weight:
337.3989
IUPAC Name:
6-methoxy-2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
InChI:
InChI=1S/C17H15N5OS/c1-23-12-7-8-13-14(9-12)18-16(11-5-3-2-4-6-11)17(13)24-10-15-19-21-22-20-15/h2-9,18H,10H2,1H3,(H,19,20,21,22)
InChI Key:
LWINWUPFKQISOL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(c2SCc1nnn[nH]1)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.401g/mol
Monoisotopic Mass:
337.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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