2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide

2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-furylmethylene)acetohydrazide · Acetic acid, 2-[[5-(1H-benzotriazol-1-ylmethyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-(2-furanylmethylene)hydrazide

https://huagongshe.com/ko/chemical/178819872

2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide 분자 구조식

식별자 및 물리적 특성

CAS No.	514219-88-6
분자식	C19H18N8O2S
평균 분자량	422.5 g/mol
SMILES	C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccco1
InChIKey	MPZJDBPCWVNSKW-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	2.2
극성 표면적	141
수소 결합 공여자 수	1
수소 결합 수용자 수	8
회전 가능 결합 수	9
무거운 원자 수	30
형식 전하	0
복잡도	623
밀도	1.44±0.1 g/cm3(Predicted)
pKa(산도 계수)	11.60±0.46(Predicted)