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155444-13-6 | Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperaziny l)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1
CAS No: 155444-13-6 Catalog No: AG00AYPV MDL No:
Product Description
Catalog Number:
AG00AYPV
Chemical Name:
Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperaziny l)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1
CAS Number:
155444-13-6
IUPAC Name:
(E)-but-2-enedioic acid;6-methyl-11-(2-piperazin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
InChI:
InChI=1S/C20H25N3O3S.2C4H4O4/c1-22-18-8-4-2-6-16(18)20(26-15-14-23-12-10-21-11-13-23)17-7-3-5-9-19(17)27(22,24)25;2*5-3(6)1-2-4(7)8/h2-9,20-21H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChI Key:
FOTPXIFZQCBAQM-LVEZLNDCSA-N
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
619.184g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
619.642g/mol
Monoisotopic Mass:
619.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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