AC1LP5MW

1-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone

Also Known As: F1396-0087|1-{4-[2-(3,4-dimethoxyphenyl)ethyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-dien-6-yl}ethan-1-one|1-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone|1-(3-(3,4-dimethoxyphenethyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethanone|1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl}ethanone|1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-9-thia-1,3-diaza-1,2,3,4,5,6,7,8-octahydro-1-fluorenyl}-1-ethanone|1-acetyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4,5,6,7,8-octahydrobenzo[b]thi opheno[2,3-d]pyrimidine

Molecular Formula	C22H28N2O3S
Molecular Weight	400.18207 g/mol
LogP	4.0128
Topological Polar Surface Area	42.01 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	400.18207
Monoisotopic Mass	400.18207
Heavy Atoms	28
Complexity	876.9071

Chemical Identifiers

CAS Number	618403-31-9
SMILES	CC(=O)N1CN(CC2=C1SC3=C2CCCC3)CCC4=CC(=C(C=C4)OC)OC