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500902-00-1 | 4H-1,4-Benzothiazine, 3-(4-methoxyphenyl)-
CAS No: 500902-00-1 Catalog No: AG006W08 MDL No:
Product Description
Catalog Number:
AG006W08
Chemical Name:
4H-1,4-Benzothiazine, 3-(4-methoxyphenyl)-
CAS Number:
500902-00-1
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
3-(4-methoxyphenyl)-4H-1,4-benzothiazine
InChI:
InChI=1S/C15H13NOS/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-10,16H,1H3
InChI Key:
DILPTMYWAKHJRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=CSc2c(N1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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