Ati 2042

butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate

Also Known As: Celivarone|BUDIODARONE|ATI 2042|ATI-2042|(S)-ATI 2042|J1.523.653A|2-Benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, 1-methylpropyl ester|butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate|3-[3,5-Diiodo-4-[2-(diethylamino)ethoxy]benzoyl]benzofuran-2-acetic acid sec-butyl ester|Butan-2-yl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate|butan-2-yl 2-(3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate|butan-2-yl 2-[3-[4-(2-diethylaminoethyloxy)-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate|sec-butyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodo-benzoyl]benzofuran-2-yl]acetate|(2S)-Butan-2-yl2-(3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl)acetate|[(2S)-butan-2-yl] 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate

Molecular Formula	C27H31I2NO5
Molecular Weight	703.0292 g/mol
LogP	7.0
Topological Polar Surface Area	69.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	13
Exact Mass	703.0292
Monoisotopic Mass	703.0292
Heavy Atoms	35
Complexity	678.0

Chemical Identifiers

CAS Number	335148-45-3
SMILES	CCC(C)OC(=O)CC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
InChIKey	ZXOSVKYCXLTVGS-UHFFFAOYSA-N