2-((3Z)-3-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2-phenylethyl)acetamide

SALOR-INT L419729-1EA · 1H-Indole-1-acetamide, 2,3-dihydro-3-[3-(1-methylethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]-2-oxo-N-(2-phenylethyl)- · 2-[(3Z)-3-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]-N-(2-PHENYLETHYL)ACETAMIDE

https://huagongshe.com/en/chemical/2139129

2-((3Z)-3-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2-phenylethyl)acetamide molecular structure

Identifiers & Physical Properties

CAS No.	617698-36-9
Molecular formula	C24H23N3O3S2
Average molar mass	465.6 g/mol
Monoisotopic mass	465.11808395 g/mol
SMILES	CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S
InChIKey	UJSLRYHNNSESQT-MRCUWXFGSA-N
PubChem CID	2139129
EC No.	638-629-3

Chemical & Physical Properties

XLogP	4
Topological polar surface area	127
Hydrogen bond donors	1
Hydrogen bond acceptors	5
Rotatable bonds	6
Heavy atoms	32
Formal charge	0
Complexity	819
Density	1.406±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)	14.291±0.46(predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H413-H302
GHS precautionary statements	P264-P270-P301+P312-P330-P501

Safety & Regulations

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H413-H302
GHS precautionary statements	P264-P270-P301+P312-P330-P501