AC1MJBBK

ethyl 2-[7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

Also Known As: Oprea1_458812|Oprea1_509004|BAS 00491910|AG-690/11203393|ethyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate|ethyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}thio)acetate|ethyl 2-((7-(3-(4-bromophenoxy)-2-hydroxypropyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate|ethyl 2-({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate|ethyl 2-[7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate

Molecular Formula	C19H21BrN4O6S
Molecular Weight	512.0365 g/mol
LogP	1.2809
Topological Polar Surface Area	128.44 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	512.0365
Monoisotopic Mass	512.0365
Heavy Atoms	31
Complexity	1187.0566

Chemical Identifiers

CAS Number	328070-08-2
SMILES	CCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C