AC1MJ7YU

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione

Also Known As: BAS 00458107|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione|AG-690/11060035|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione|7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione|7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-pentylthio-1,3,7-trihydropu rine-2,6-dione

Molecular Formula	C20H25ClN4O4S
Molecular Weight	452.1285 g/mol
LogP	2.7989
Topological Polar Surface Area	102.14 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	452.1285
Monoisotopic Mass	452.1285
Heavy Atoms	30
Complexity	1106.9225

Chemical Identifiers

CAS Number	331675-56-0
SMILES	CCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C