AC1MYVUA

ethyl 2-[(7-ethyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate

Also Known As: ethyl [(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate|ethyl 2-((5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)acetate

Molecular Formula	C18H22N4O3S2
Molecular Weight	406.11334 g/mol
LogP	3.4079
Topological Polar Surface Area	78.61 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	406.11334
Monoisotopic Mass	406.11334
Heavy Atoms	27
Complexity	1024.871

Chemical Identifiers

CAS Number	799784-29-5
SMILES	CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=O)OCC