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1172617-14-9 | 7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-
CAS No: 1172617-14-9 Catalog No: AG000DZZ MDL No:
Product Description
Catalog Number:
AG000DZZ
Chemical Name:
7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-
CAS Number:
1172617-14-9
Molecular Formula:
C23H24N4O4S
Molecular Weight:
452.5261
IUPAC Name:
6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
InChI:
InChI=1S/C23H24N4O4S/c1-28-16-7-9-19(29-2)17(11-16)22-24-25-23-27(22)26-18(13-32-23)15-6-8-20(30-3)21(10-15)31-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3
InChI Key:
LVNBHNLIFRJJLL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1nnc2n1N=C(CS2)c1ccc(c(c1)OCC1CC1)OC)OC
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.152g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.529g/mol
Monoisotopic Mass:
452.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors. | Bioorganic & medicinal chemistry letters 20090701 |
| 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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