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110766-34-2 | [1,2,4]Triazolo[3,4-d][1,5]benzothiazepine,4,5-dihydro-
CAS No: 110766-34-2 Catalog No: AG007C7G MDL No:
Product Description
Catalog Number:
AG007C7G
Chemical Name:
[1,2,4]Triazolo[3,4-d][1,5]benzothiazepine,4,5-dihydro-
CAS Number:
110766-34-2
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
IUPAC Name:
4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
InChI:
InChI=1S/C10H9N3S/c1-2-4-9-8(3-1)13-7-11-12-10(13)5-6-14-9/h1-4,7H,5-6H2
InChI Key:
LOCPUCJEZCLLMH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1cnnc1CCS2
NSC Number:
623697
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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