CBMicro_027358

ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoylthiophene-3-carboxylate

Also Known As: CBMicro_027358|ChemDiv1_001173|Oprea1_374521|Oprea1_540510|HMS590F07|BAS 00660543|BIM-0027457.P001|ETHYL 4-METHYL-2-[(2-OXOCHROMENE-3-CARBONYL)AMINO]-5-PROPANOYL-THIOPHENE-3-CARBOXYLATE|SR-01000410658-1|Ethyl 4-methyl-2-(2-oxo-2H-1-benzopyran-3-carboxamido)-5-propanoylthiophene-3-carboxylate|ethyl 4-methyl-2-(2-oxo-2H-chromene-3-amido)-5-propanoylthiophene-3-carboxylate|ethyl 4-methyl-2-[(2-oxochromene-3-carbonyl)amino]-5-propanoylthiophene-3-carboxylate|ethyl 4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-5-propionyl-3-thiophenecarboxylate

Molecular Formula	C21H19NO6S
Molecular Weight	413.09332 g/mol
LogP	4.18462
Topological Polar Surface Area	102.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	413.09332
Monoisotopic Mass	413.09332
Heavy Atoms	29
Complexity	1173.6183

Chemical Identifiers

CAS Number	5667-59-4
SMILES	CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OCC)C