N'-(3-bromobenzylidene)-2-(2-furyl)-4-quinolinecarbohydrazide

Update Time: 2025-04-25 16:57:08

	Common Name	N'-(3-bromobenzylidene)-2-(2-furyl)-4-quinolinecarbohydrazide	English Name	N'-(3-bromobenzylidene)-2-(2-furyl)-4-quinolinecarbohydrazide
	CAS NO.	N/A	Molecular Weight	420.3
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₁₄BrN₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N'-(3-bromobenzylidene)-2-(2-furyl)-4-quinolinecarbohydrazide

Molecular Formula	C21H14BrN3O2
Molecular Weight	420.3
Exact Mass	419.02694
LogP	4.60
Standard SMILES	O=C(NN=Cc1cccc(Br)c1)c1cc(-c2ccco2)nc2ccccc12
Canonical SMILES	C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NN=CC4=CC(=CC=C4)Br
Isomeric SMILES	C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)N/N=C/C4=CC(=CC=C4)Br
Standard InChI Identifier	InChI=1S/C21H14BrN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)/b23-13+
Standard InChI Key	OTMPPUPOGLELRW-YDZHTSKRSA-N
Compound Complexity	544.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：1 Rotatable Bond Count：4 Heavy Atom Count：27 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：2 Monoisotopic Mass：419.02694