AC1N5WXF

ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate

Also Known As: Oprea1_471217|AK-968/41923837|ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate|ethyl 2-{[(4,5-dibromothiophen-2-yl)carbonyl]amino}-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate|ethyl 2-(4,5-dibromothiophene-2-carboxamido)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate|ethyl 2-[(4,5-dibromo-2-thienyl)carbonylamino]-4,5,6,7,8,9,10-heptahydrocyclon ona[2,1-b]thiophene-3-carboxylate|ethyl 2-{[(4,5-dibromo-2-thienyl)carbonyl]amino}-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thiophene-3-carboxylate

Molecular Formula	C19H21Br2NO3S2
Molecular Weight	532.933 g/mol
LogP	6.8127
Topological Polar Surface Area	55.4 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	532.933
Monoisotopic Mass	534.9309
Heavy Atoms	27
Complexity	824.8686

Chemical Identifiers

CAS Number	438236-98-7
SMILES	CCOC(=O)C1=C(SC2=C1CCCCCCC2)NC(=O)C3=CC(=C(S3)Br)Br