AC1N97CR

ethyl 4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Also Known As: Oprea1_810050|F1260-2596|ethyl 4-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate|ethyl 4-(3-ethoxy-4-((4-methylbenzyl)oxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|ethyl 4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate|ethyl 6-{3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl}-4-methyl-2-thioxo-1,3,6-t rihydropyrimidine-5-carboxylate

Molecular Formula	C24H28N2O4S
Molecular Weight	440.17697 g/mol
LogP	4.32862
Topological Polar Surface Area	68.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	440.17697
Monoisotopic Mass	440.17697
Heavy Atoms	31
Complexity	985.57385

Chemical Identifiers

CAS Number	526189-40-2
SMILES	CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC3=CC=C(C=C3)C