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189686-00-8 | Acetamide, N-(phenylmethyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 189686-00-8 Catalog No: AG002DVH MDL No:
Product Description
Catalog Number:
AG002DVH
Chemical Name:
Acetamide, N-(phenylmethyl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
189686-00-8
Molecular Formula:
C18H15N5OS
Molecular Weight:
349.4096
IUPAC Name:
N-benzyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C18H15N5OS/c24-15(19-10-12-6-2-1-3-7-12)11-25-18-21-17-16(22-23-18)13-8-4-5-9-14(13)20-17/h1-9H,10-11H2,(H,19,24)(H,20,21,23)
InChI Key:
HFMFCNDNWAVPRV-UHFFFAOYSA-N
SMILES:
O=C(CSc1nnc2c(n1)[nH]c1c2cccc1)NCc1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.412g/mol
Monoisotopic Mass:
349.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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