4-chloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

Update Time: 2025-04-25 16:31:57

	Common Name	4-chloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide	English Name	4-chloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide
	CAS NO.	N/A	Molecular Weight	437.9
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₁₆ClN₃O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	4-chloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

Molecular Formula	C22H16ClN3O3S
Molecular Weight	437.9
Exact Mass	437.0600902
LogP	5.60
Standard SMILES	O=C(NC(=S)Nc1ccc(OCc2ccccc2)cc1)c1cc2c(Cl)nccc2o1
Canonical SMILES	C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(O3)C=CN=C4Cl
Isomeric SMILES	C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(O3)C=CN=C4Cl
Standard InChI Identifier	InChI=1S/C22H16ClN3O3S/c23-20-17-12-19(29-18(17)10-11-24-20)21(27)26-22(30)25-15-6-8-16(9-7-15)28-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,25,26,27,30)
Standard InChI Key	UJQHSPHFSZFOTM-UHFFFAOYSA-N
Compound Complexity	596.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：2 Rotatable Bond Count：5 Heavy Atom Count：30 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 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：437.0600902