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47660-35-5 | 2-[2-METHOXY-4-[[(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)HYDRAZONO]METHYL]PHENOXY]ETHYL METHACRYLATE
CAS No: 47660-35-5 Catalog No: AG006ZR3 MDL No:
Product Description
Catalog Number:
AG006ZR3
Chemical Name:
2-[2-METHOXY-4-[[(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)HYDRAZONO]METHYL]PHENOXY]ETHYL METHACRYLATE
CAS Number:
47660-35-5
Molecular Formula:
C22H23N3O4S
Molecular Weight:
425.5007
IUPAC Name:
2-[2-methoxy-4-[[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C22H23N3O4S/c1-15(2)21(26)29-12-11-28-18-10-9-16(13-19(18)27-4)14-23-24-22-25(3)17-7-5-6-8-20(17)30-22/h5-10,13-14H,1,11-12H2,2-4H3
InChI Key:
RNPYQIUMSQHJTO-UHFFFAOYSA-N
SMILES:
COc1cc(C=NN=c2sc3c(n2C)cccc3)ccc1OCCOC(=O)C(=C)C
EC Number:
256-327-6
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.503g/mol
Monoisotopic Mass:
425.141g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.6
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