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13146-75-3 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2,4(3H)-dione, tetrahydro-8a-(phenylmethyl)-
CAS No: 13146-75-3 Catalog No: AG000W8V MDL No:
Product Description
Catalog Number:
AG000W8V
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2,4(3H)-dione, tetrahydro-8a-(phenylmethyl)-
CAS Number:
13146-75-3
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
IUPAC Name:
8a-benzyl-6,7-dihydro-1H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C12H13N3O2S/c16-10-13-11(17)15-6-7-18-12(15,14-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,13,14,16,17)
InChI Key:
XSJIJLNGXJAIKK-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N2C(N1)(SCC2)Cc1ccccc1
NSC Number:
102554
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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