2-[3-(3-hydroxy-4-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

Update Time: 2025-04-25 16:51:01

	Common Name	2-[3-(3-hydroxy-4-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide	English Name	2-[3-(3-hydroxy-4-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
	CAS NO.	N/A	Molecular Weight	397.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₁₉N₃O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[3-(3-hydroxy-4-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

Molecular Formula	C20H19N3O6
Molecular Weight	397.4
Exact Mass	397.12738533
LogP	0.80
Standard SMILES	COc1ccc(C2C3C(=O)N(c4ccccc4)C(=O)C3ON2CC(N)=O)cc1O
Canonical SMILES	COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2CC(=O)N)O
Isomeric SMILES	COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2CC(=O)N)O
Standard InChI Identifier	InChI=1S/C20H19N3O6/c1-28-14-8-7-11(9-13(14)24)17-16-18(29-22(17)10-15(21)25)20(27)23(19(16)26)12-5-3-2-4-6-12/h2-9,16-18,24H,10H2,1H3,(H2,21,25)
Standard InChI Key	SINKXJKIGBZWPN-UHFFFAOYSA-N
Compound Complexity	667.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：2 Rotatable Bond Count：5 Heavy Atom Count：29 Total Chiral Atom Count：3 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：3 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：397.12738533