RefChem:118708

2-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]-N-methylsulfonylethanimidate

Also Known As: EINECS 268-348-8|Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt|1-Ethyl-2-(3-(3-ethyl-5,6-dimethylbenzoxazolinylidene)-2-propenyl)-3-((N-(methylsulfonylcarbamyl)methyl)-5,6-dichlorobenzimidazolium betaine|Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, inner salt|Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5,6-dimethyl-, inner salt|2-(3-(5,6-Dichloro-1-ethyl-1,3-dihydro-3-(2-(mesylamino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethyl-5,6-dimethylbenzoxazolium ateC26H28Cl2N4O4S|2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate|Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5,6-dimethyl-, inner salt|Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5,6-dimethyl-, hydroxide, inner salt

Molecular Formula	C26H28Cl2N4O4S
Molecular Weight	562.12085 g/mol
LogP	4.58334
Topological Polar Surface Area	93.06 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	562.12085
Monoisotopic Mass	562.12085
Heavy Atoms	37
Complexity	1575.1171

Chemical Identifiers

CAS Number	68072-54-8
SMILES	CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(O3)C=C(C(=C4)C)C)CC)CC(=NS(=O)(=O)C)[O-])Cl)Cl