AC1MU68Y

methyl 2-[(4-benzyl-3-oxo-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanoate

Also Known As: methyl 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanoate|methyl 2-{[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate

Molecular Formula	C23H26N2O4S2
Molecular Weight	458.1334 g/mol
LogP	4.2572
Topological Polar Surface Area	70.42 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	458.1334
Monoisotopic Mass	458.1334
Heavy Atoms	31
Complexity	1153.8331

Chemical Identifiers

CAS Number	369399-75-7
SMILES	CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C)C(=O)OC)CC4=CC=CC=C4