2-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)-methylamino]ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoate

Update Time: 2025-04-25 16:33:36

	Common Name	2-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)-methylamino]ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoate	English Name	2-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)-methylamino]ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoate
	CAS NO.	N/A	Molecular Weight	512.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₃₂N₂O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[(5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)-methylamino]ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzoate

Molecular Formula	C27H32N2O6S
Molecular Weight	512.6
Exact Mass	512.19810792
LogP	4.60
Standard SMILES	Cc1c(C)c2c(c(C)c1O)C(N(C)CCOC(=O)c1ccc(CC3SC(=O)NC3=O)cc1)C(C)(C)O2
Canonical SMILES	CC1=C(C2=C(C(C(O2)(C)C)N(C)CCOC(=O)C3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C
Isomeric SMILES	CC1=C(C2=C(C(C(O2)(C)C)N(C)CCOC(=O)C3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C
Standard InChI Identifier	InChI=1S/C27H32N2O6S/c1-14-15(2)22-20(16(3)21(14)30)23(27(4,5)35-22)29(6)11-12-34-25(32)18-9-7-17(8-10-18)13-19-24(31)28-26(33)36-19/h7-10,19,23,30H,11-13H2,1-6H3,(H,28,31,33)
Standard InChI Key	HJIVEQLBBKAIFV-UHFFFAOYSA-N
Compound Complexity	844.00
computational chemistry	Hydrogen Bond Acceptor Count：8 Hydrogen Bond Donor Count：2 Rotatable Bond Count：8 Heavy Atom Count：36 Total Chiral Atom Count：2 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：2 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：512.19810792