N-[(E)-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

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

	Common Name	N-[(E)-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide	English Name	N-[(E)-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methoxyphenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
	CAS NO.	N/A	Molecular Weight	499.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₂₇BrN₄O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

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

Molecular Formula	C24H27BrN4O3
Molecular Weight	499.4
Exact Mass	498.12665
LogP	5.00
Standard SMILES	COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2)ccc1Cn1nc(C)c(Br)c1C
Canonical SMILES	CC1=CC(=CC(=C1)OCC(=O)NN=CC2=CC(=C(C=C2)CN3C(=C(C(=N3)C)Br)C)OC)C
Isomeric SMILES	CC1=CC(=CC(=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)CN3C(=C(C(=N3)C)Br)C)OC)C
Standard InChI Identifier	InChI=1S/C24H27BrN4O3/c1-15-8-16(2)10-21(9-15)32-14-23(30)27-26-12-19-6-7-20(22(11-19)31-5)13-29-18(4)24(25)17(3)28-29/h6-12H,13-14H2,1-5H3,(H,27,30)/b26-12+
Standard InChI Key	QOMLULNCWLREAM-RPPGKUMJSA-N
Compound Complexity	626.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：1 Rotatable Bond Count：8 Heavy Atom Count：32 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：498.12665