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29637-18-1 | 4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
CAS No: 29637-18-1 Catalog No: AG00BQAA MDL No:
Product Description
Catalog Number:
AG00BQAA
Chemical Name:
4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
CAS Number:
29637-18-1
IUPAC Name:
4-[(4E)-4-[(1Z)-1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
InChI:
InChI=1S/C26H23N3O4S2/c1-4-28-23(34-22-14-9-18-7-5-6-8-21(18)25(22)28)15-16(2)24-17(3)27-29(26(24)30)19-10-12-20(13-11-19)35(31,32)33/h5-15H,4H2,1-3H3,(H,31,32,33)/b23-15-,24-16+
InChI Key:
VFUBECKRASDZKT-REPVBDINSA-N
EC Number:
249-743-4
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
505.113g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.607g/mol
Monoisotopic Mass:
505.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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