2-ethyl-N'-[(2R)-2-ethyl-7-fluoro-4-oxo-5-(2,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-hydroxy-N'-(2,2,2-trifluoroethyl)propanediamide

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

	Common Name	2-ethyl-N'-[(2R)-2-ethyl-7-fluoro-4-oxo-5-(2,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-hydroxy-N'-(2,2,2-trifluoroethyl)propanediamide	English Name	2-ethyl-N'-[(2R)-2-ethyl-7-fluoro-4-oxo-5-(2,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-hydroxy-N'-(2,2,2-trifluoroethyl)propanediamide
	CAS NO.	N/A	Molecular Weight	517.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₂F₇N₃O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-ethyl-N'-[(2R)-2-ethyl-7-fluoro-4-oxo-5-(2,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-hydroxy-N'-(2,2,2-trifluoroethyl)propanediamide

Molecular Formula	C20H22F7N3O5
Molecular Weight	517.4
Exact Mass	517.14476795
LogP	3.10
Standard SMILES	CCC1Oc2ccc(F)cc2N(CC(F)(F)F)C(=O)C1N(CC(F)(F)F)C(=O)C(O)(CC)C(N)=O
Canonical SMILES	CCC1C(C(=O)N(C2=C(O1)C=CC(=C2)F)CC(F)(F)F)N(CC(F)(F)F)C(=O)C(CC)(C(=O)N)O
Isomeric SMILES	CC[C@@H]1C(C(=O)N(C2=C(O1)C=CC(=C2)F)CC(F)(F)F)N(CC(F)(F)F)C(=O)C(CC)(C(=O)N)O
Standard InChI Identifier	InChI=1S/C20H22F7N3O5/c1-3-12-14(30(9-20(25,26)27)17(33)18(34,4-2)16(28)32)15(31)29(8-19(22,23)24)11-7-10(21)5-6-13(11)35-12/h5-7,12,14,34H,3-4,8-9H2,1-2H3,(H2,28,32)/t12-,14?,18?/m1/s1
Standard InChI Key	JFNUTNHVWVWWOV-LVIIFESRSA-N
Compound Complexity	809.00
computational chemistry	Hydrogen Bond Acceptor Count：12 Hydrogen Bond Donor Count：2 Rotatable Bond Count：7 Heavy Atom Count：35 Total Chiral Atom Count：3 Defined Chiral Atom Count：1 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：517.14476795