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Home > Indoles and Oxindole > 112800-84-7
112800-84-7 | 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-
CAS No: 112800-84-7 Catalog No: AG007S7O MDL No:
Product Description
Catalog Number:
AG007S7O
Chemical Name:
5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-
CAS Number:
112800-84-7
Molecular Formula:
C18H16N4S
Molecular Weight:
320.4114
IUPAC Name:
3-benzylsulfanyl-5-ethyl-[1,2,4]triazino[5,6-b]indole
InChI:
InChI=1S/C18H16N4S/c1-2-22-15-11-7-6-10-14(15)16-17(22)19-18(21-20-16)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChI Key:
IXHUXPBSFWTGTG-UHFFFAOYSA-N
SMILES:
CCn1c2ccccc2c2c1nc(SCc1ccccc1)nn2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.414g/mol
Monoisotopic Mass:
320.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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