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477859-66-8 | 1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethyl N-(4-methylbenzenesulfonyl)carbamate
CAS No: 477859-66-8 Catalog No: AG00IO2M MDL No:MFCD02082589
Product Description
Catalog Number:
AG00IO2M
Chemical Name:
1-{6-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl}ethyl N-(4-methylbenzenesulfonyl)carbamate
CAS Number:
477859-66-8
Molecular Formula:
C15H16N4O4S2
Molecular Weight:
380.4419
MDL Number:
MFCD02082589
IUPAC Name:
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-methylphenyl)sulfonylcarbamate
InChI:
InChI=1S/C15H16N4O4S2/c1-9-4-6-12(7-5-9)25(21,22)18-15(20)23-11(3)13-10(2)19-14(24-13)16-8-17-19/h4-8,11H,1-3H3,(H,18,20)
InChI Key:
VTWBTQAYISBOSG-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1ccc(cc1)C)OC(c1sc2n(c1C)ncn2)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.437g/mol
Monoisotopic Mass:
380.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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