Compound C20H20N4O4S

[4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate

CAS: 114568-26-2

Molecular Formula	`C20H20N4O4S`
Molecular Weight	412.5 g/mol
LogP	1.2
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	412.1205
Heavy Atoms	29
Complexity	620.0

Chemical Identifiers

CAS Number	114568-26-2
SMILES	`C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N`
InChIKey	`ILRQPCQIFIURTG-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H20N4O4S (CAS: 114568-26-2) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.5 g/mol. Its IUPAC systematic name is [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate. LogP 1.2 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 412.1205 Heavy Atoms 29 Complexity 620.0 InChI Key: ILRQPCQIFIURTG-UHFFFAOYSA-N. SMILES: C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.

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