AC1LQ1KJ

ethyl 4-[[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate

Also Known As: Ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetylamino]methyl}benzoate|ethyl 4-((2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)methyl)benzoate|ethyl 4-[[[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]methyl]benzoate|ethyl 4-{[({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]methyl}benzoate|ethyl 4-{[2-(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin -2-ylthio)acetylamino]methyl}benzoate

Molecular Formula	C23H25N3O4S2
Molecular Weight	471.12866 g/mol
LogP	3.84604
Topological Polar Surface Area	90.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	471.12866
Monoisotopic Mass	471.12866
Heavy Atoms	32
Complexity	1212.69

Chemical Identifiers

CAS Number	501112-72-7
SMILES	CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C