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332384-84-6 | N,N-Dicyclohexyl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS No: 332384-84-6 Catalog No: AG01F4VY MDL No:
Product Description
Catalog Number:
AG01F4VY
Chemical Name:
N,N-Dicyclohexyl-2-(9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
CAS Number:
332384-84-6
Molecular Formula:
C23H29N5OS
Molecular Weight:
423.5743
IUPAC Name:
N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
InChI:
InChI=1S/C23H29N5OS/c29-20(28(16-9-3-1-4-10-16)17-11-5-2-6-12-17)15-30-23-25-22-21(26-27-23)18-13-7-8-14-19(18)24-22/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,24,25,27)
InChI Key:
RDGZMHHUXSDDFI-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCCC1)C1CCCCC1)CSc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.579g/mol
Monoisotopic Mass:
423.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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