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310418-20-3 | N-(4-Methoxy-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 310418-20-3 Catalog No: AG01F4F0 MDL No:
Product Description
Catalog Number:
AG01F4F0
Chemical Name:
N-(4-Methoxy-phenyl)-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
310418-20-3
Molecular Formula:
C18H15N5O2S
Molecular Weight:
365.4090
IUPAC Name:
N-(4-methoxyphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C18H15N5O2S/c1-25-12-8-6-11(7-9-12)19-15(24)10-26-18-21-17-16(22-23-18)13-4-2-3-5-14(13)20-17/h2-9H,10H2,1H3,(H,19,24)(H,20,21,23)
InChI Key:
OXLFPJOOHLWZBO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.095g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.411g/mol
Monoisotopic Mass:
365.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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