AC1MPA0B

7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione

Also Known As: UPCMLD0ENAT5858173:001|7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-8-(4-benzylpiperidin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione|AB00668496-01|F0570-0065|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione|7-(2-benzooxazol-2-ylsulfanylethyl)-8-(4-benzyl-1-piperidyl)-3-methyl-purine-2,6-dione|7-(2-benzoxazol-2-ylthioethyl)-3-methyl-8-[4-benzylpiperidyl]-1,3,7-trihydropu rine-2,6-dione|7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

Molecular Formula	C27H28N6O3S
Molecular Weight	516.19434 g/mol
LogP	3.8159
Topological Polar Surface Area	101.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	516.19434
Monoisotopic Mass	516.19434
Heavy Atoms	37
Complexity	1627.8638

Chemical Identifiers

CAS Number	714939-85-2
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5