2-[(3Z)-3-(3,7-Dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazin-2(3H)-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetamide

SALOR-INT L427691-1EA · 1H-Indole-1-acetamide, 3-(3,7-dioxo-6-phenyl-7H-thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)-2,3-dihydro-2-oxo- · 2-[3-(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide · 2-[(3Z)-3-(3,7-DIOXO-6-PHENYL-7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZIN-2(3H)-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETAMIDE

https://huagongshe.com/ja/chemical/2139204

2-[(3Z)-3-(3,7-Dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazin-2(3H)-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetamide の分子構造式

識別子と物理属性

CAS No.	607385-13-7
分子式	C21H13N5O4S
平均分子量	431.4 g/mol
単同位体質量	431.06882509 g/mol
SMILES	NC(=O)CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIKey	GKAQKDISEHGJPP-ICFOKQHNSA-N
PubChem CID	2139204
EC No.	645-619-2

化学・物理的性質

XLogP	1.7
極性表面積	151
水素結合供与体数	1
水素結合受容体数	6
回転可能結合数	3
重原子数	31
形式電荷	0
複雑度	965
沸点	623.6±65.0 °C(Predicted)
密度	1.66±0.1 g/cm3(Predicted)
pKa（酸解離定数）	15.26±0.40(Predicted)

安全性と法規制

GHS 分類	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%)
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315