2-(4-Ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-TH ioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one

https://huagongshe.com/de/chemical/5933859

Molekülstruktur von 2-(4-Ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-TH ioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one

Identifikatoren & physikalische Daten

CAS No.	500144-61-6
Summenformel	C27H29N5O2S2
Durchschnittliche Molmasse	519,7 g/mol
Monoisotopische Masse	519,17626753 g/mol
SMILES	CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1
InChIKey	UDCVKOPLDSEUOA-JWGURIENSA-N
PubChem CID	5933859
EC No.	646-014-6

Chemische & physikalische Eigenschaften

XLogP	3,9
Polarare Oberfläche (TPSA)	117
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	5
Schwere Atome	36
Formalladung	0
Komplexität	1.110

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)