N-(2-methoxyethyl)-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

Update Time: 2025-04-25 16:51:01

	Common Name	N-(2-methoxyethyl)-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide	English Name	N-(2-methoxyethyl)-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
	CAS NO.	N/A	Molecular Weight	448.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₈N₄O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-(2-methoxyethyl)-N-[2-[[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide

Molecular Formula	C21H28N4O5S
Molecular Weight	448.5
Exact Mass	448.17804118
LogP	1.00
Standard SMILES	COCCNC(=O)Cc1csc(NC(=O)CN(CCOC)C(=O)c2ccc(C)cc2)n1
Canonical SMILES	CC1=CC=C(C=C1)C(=O)N(CCOC)CC(=O)NC2=NC(=CS2)CC(=O)NCCOC
Isomeric SMILES	CC1=CC=C(C=C1)C(=O)N(CCOC)CC(=O)NC2=NC(=CS2)CC(=O)NCCOC
Standard InChI Identifier	InChI=1S/C21H28N4O5S/c1-15-4-6-16(7-5-15)20(28)25(9-11-30-3)13-19(27)24-21-23-17(14-31-21)12-18(26)22-8-10-29-2/h4-7,14H,8-13H2,1-3H3,(H,22,26)(H,23,24,27)
Standard InChI Key	ZEORGASQUIBEBK-UHFFFAOYSA-N
Compound Complexity	586.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：2 Rotatable Bond Count：12 Heavy Atom Count：31 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：448.17804118