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Home > Indoles and Oxindole > 189688-10-6
189688-10-6 | [1,3,4]Thiadiazino[5,6-b]indol-4a(9H)-ol, 9-methyl-3-phenyl-
CAS No: 189688-10-6 Catalog No: AG002DVE MDL No:
Product Description
Catalog Number:
AG002DVE
Chemical Name:
[1,3,4]Thiadiazino[5,6-b]indol-4a(9H)-ol, 9-methyl-3-phenyl-
CAS Number:
189688-10-6
Molecular Formula:
C16H13N3OS
Molecular Weight:
295.3589
IUPAC Name:
9-methyl-3-phenyl-[1,3,4]thiadiazino[5,6-b]indol-4a-ol
InChI:
InChI=1S/C16H13N3OS/c1-19-13-10-6-5-9-12(13)16(20)15(19)18-17-14(21-16)11-7-3-2-4-8-11/h2-10,20H,1H3
InChI Key:
SXUPZLDUZRTNGG-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C2(C1=NN=C(S2)c1ccccc1)O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.36g/mol
Monoisotopic Mass:
295.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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