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84589-11-7 | 2H-1,4-Benzothiazine,7,7'-methylenebis[3,4-dihydro-3,3-dimethyl-
CAS No: 84589-11-7 Catalog No: AG004UE3 MDL No:
Product Description
Catalog Number:
AG004UE3
Chemical Name:
2H-1,4-Benzothiazine,7,7'-methylenebis[3,4-dihydro-3,3-dimethyl-
CAS Number:
84589-11-7
Molecular Formula:
C21H26N2S2
Molecular Weight:
370.5745
IUPAC Name:
7-[(3,3-dimethyl-2,4-dihydro-1,4-benzothiazin-7-yl)methyl]-3,3-dimethyl-2,4-dihydro-1,4-benzothiazine
InChI:
InChI=1S/C21H26N2S2/c1-20(2)12-24-18-10-14(5-7-16(18)22-20)9-15-6-8-17-19(11-15)25-13-21(3,4)23-17/h5-8,10-11,22-23H,9,12-13H2,1-4H3
InChI Key:
RMKZWXPGSUJDMO-UHFFFAOYSA-N
SMILES:
CC1(C)CSc2c(N1)ccc(c2)Cc1ccc2c(c1)SCC(N2)(C)C
EC Number:
283-248-4
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.573g/mol
Monoisotopic Mass:
370.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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