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705964-40-5 | 1H-Tetrazole, 1-acetyl-5-[2-(10H-phenothiazin-10-yl)ethyl]-
CAS No: 705964-40-5 Catalog No: AG005HQT MDL No:
Product Description
Catalog Number:
AG005HQT
Chemical Name:
1H-Tetrazole, 1-acetyl-5-[2-(10H-phenothiazin-10-yl)ethyl]-
CAS Number:
705964-40-5
Molecular Formula:
C17H15N5OS
Molecular Weight:
337.3989
IUPAC Name:
1-[5-(2-phenothiazin-10-ylethyl)tetrazol-1-yl]ethanone
InChI:
InChI=1S/C17H15N5OS/c1-12(23)22-17(18-19-20-22)10-11-21-13-6-2-4-8-15(13)24-16-9-5-3-7-14(16)21/h2-9H,10-11H2,1H3
InChI Key:
HYWPQRYEOMQIBJ-UHFFFAOYSA-N
SMILES:
CC(=O)n1nnnc1CCN1c2ccccc2Sc2c1cccc2
NSC Number:
732657
Properties
Complexity:
442
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:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.401g/mol
Monoisotopic Mass:
337.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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