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125766-38-3 | 5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS No: 125766-38-3 Catalog No: AG000OOL MDL No:
Product Description
Catalog Number:
AG000OOL
Chemical Name:
5H-1,3,4-Thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-
CAS Number:
125766-38-3
Molecular Formula:
C19H15ClN4O5S
Molecular Weight:
446.8642
IUPAC Name:
6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
InChI:
InChI=1S/C19H15ClN4O5S/c1-27-13-8-10(9-14(28-2)15(13)29-3)16-22-24-18(30-16)21-17(25)23(19(24)26)12-6-4-11(20)5-7-12/h4-9H,1-3H3
InChI Key:
CDXZJOOBZOBFAO-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1sc2n(n1)c(=O)n(c(=O)n2)c1ccc(cc1)Cl
NSC Number:
633203
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.045g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.862g/mol
Monoisotopic Mass:
446.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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