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13580-65-9 | 2H-1,2-Benzothiazine-2-ethanol,3-(2-methyl-1,3-dioxolan-2-yl)-4-(1-methylethoxy)-, 1,1-dioxide
CAS No: 13580-65-9 Catalog No: AG0080ET MDL No:
Product Description
Catalog Number:
AG0080ET
Chemical Name:
2H-1,2-Benzothiazine-2-ethanol,3-(2-methyl-1,3-dioxolan-2-yl)-4-(1-methylethoxy)-, 1,1-dioxide
CAS Number:
13580-65-9
Molecular Formula:
C17H23NO6S
Molecular Weight:
369.4326
IUPAC Name:
2-[3-(2-methyl-1,3-dioxolan-2-yl)-1,1-dioxo-4-propan-2-yloxy-1λ6,2-benzothiazin-2-yl]ethanol
InChI:
InChI=1S/C17H23NO6S/c1-12(2)24-15-13-6-4-5-7-14(13)25(20,21)18(8-9-19)16(15)17(3)22-10-11-23-17/h4-7,12,19H,8-11H2,1-3H3
InChI Key:
NVMDNFQJAFOPHF-UHFFFAOYSA-N
SMILES:
OCCN1C(=C(OC(C)C)c2c(S1(=O)=O)cccc2)C1(C)OCCO1
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.125g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.432g/mol
Monoisotopic Mass:
369.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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