N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-methylthiophene-2-carboxamide

Update Time: 2025-04-25 16:57:07

	Common Name	N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-methylthiophene-2-carboxamide	English Name	N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-methylthiophene-2-carboxamide
	CAS NO.	N/A	Molecular Weight	382.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₂N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[(E)-[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-methylthiophene-2-carboxamide

Molecular Formula	C20H22N4O2S
Molecular Weight	382.5
Exact Mass	382.14634713
LogP	3.90
Standard SMILES	COc1ccc(C=NNC(=O)c2sccc2C)cc1Cn1nc(C)cc1C
Canonical SMILES	CC1=C(SC=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CN3C(=CC(=N3)C)C
Isomeric SMILES	CC1=C(SC=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC)CN3C(=CC(=N3)C)C
Standard InChI Identifier	InChI=1S/C20H22N4O2S/c1-13-7-8-27-19(13)20(25)22-21-11-16-5-6-18(26-4)17(10-16)12-24-15(3)9-14(2)23-24/h5-11H,12H2,1-4H3,(H,22,25)/b21-11+
Standard InChI Key	VOOGXAIGGCDCBV-SRZZPIQSSA-N
Compound Complexity	532.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 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：382.14634713