AC1NB133

pentyl 2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]acetate

Also Known As: pentyl [3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]acetate|pentyl 2-(3-(furan-2-ylmethyl)-4-imino-6,6-dimethyl-2-oxo-2,3,4,5,6,8-hexahydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1-yl)acetate

Molecular Formula	C23H29N3O5S
Molecular Weight	459.1828 g/mol
LogP	3.56997
Topological Polar Surface Area	99.45 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	459.1828
Monoisotopic Mass	459.1828
Heavy Atoms	32
Complexity	1233.2711

Chemical Identifiers

CAS Number	877797-05-2
SMILES	CCCCCOC(=O)CN1C2=C(C3=C(S2)COC(C3)(C)C)C(=N)N(C1=O)CC4=CC=CO4