AC1MM3RT

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

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

Molecular Formula	C25H27N3O3S
Molecular Weight	449.1773 g/mol
LogP	4.46937
Topological Polar Surface Area	73.15 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	449.1773
Monoisotopic Mass	449.1773
Heavy Atoms	32
Complexity	1361.6906

Chemical Identifiers

CAS Number	849006-18-4
SMILES	CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CCCC4=CC=CC=C4)CC5=CC=CO5)C