Methyl (2Z)-2-{[5-(4-chlorophenyl)-2-furyl]methylene}-5-[4-(methoxycarbonyl)phe nyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carb oxylate

https://huagongshe.com/ja/chemical/5927770

識別子と物理属性

CAS No.	609794-97-0
分子式	C28H21ClN2O6S
平均分子量	549 g/mol
単同位体質量	548.0808853 g/mol
SMILES	COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2C1c1ccc(C(=O)OC)cc1
InChIKey	TTXYQAFFKFBQMO-HMAPJEAMSA-N
PubChem CID	5927770
EC No.	645-811-6

化学・物理的性質

XLogP	5.3
極性表面積	124
水素結合供与体数	0
水素結合受容体数	8
回転可能結合数	7
重原子数	38
形式電荷	0
複雑度	1,060

安全性と法規制

GHS 分類	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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	Acute Tox. 3 (100%)

GHS 分類

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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

Acute Tox. 3 (100%)