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189870-97-1 | Acetamide, N-(2-hydroxyethyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189870-97-1 Catalog No: AG002E2U MDL No:
Product Description
Catalog Number:
AG002E2U
Chemical Name:
Acetamide, N-(2-hydroxyethyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189870-97-1
Molecular Formula:
C13H13N5O2S
Molecular Weight:
303.3396
IUPAC Name:
N-(2-hydroxyethyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C13H13N5O2S/c19-6-5-14-10(20)7-21-13-16-12-11(17-18-13)8-3-1-2-4-9(8)15-12/h1-4,19H,5-7H2,(H,14,20)(H,15,16,18)
InChI Key:
CHFVOWLUNGEUPX-UHFFFAOYSA-N
SMILES:
OCCNC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.34g/mol
Monoisotopic Mass:
303.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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