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123253-00-9 | 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-2-pyridinyl-4-(2-pyridinylamino)-, 1,1-dioxide
CAS No: 123253-00-9 Catalog No: AG000K8Q MDL No:
Product Description
Catalog Number:
AG000K8Q
Chemical Name:
2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-2-pyridinyl-4-(2-pyridinylamino)-, 1,1-dioxide
CAS Number:
123253-00-9
Molecular Formula:
C18H14ClN5O3S2
Molecular Weight:
447.9185
IUPAC Name:
6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide
InChI:
InChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25)
InChI Key:
WMANCVNHWLMOGE-UHFFFAOYSA-N
SMILES:
Clc1sc2c(c1)S(=O)(=O)N(C(=C2Nc1ccccn1)C(=O)Nc1ccccn1)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.023g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.912g/mol
Monoisotopic Mass:
447.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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