2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

2-((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-ETHOXY-PH)ACETAMIDE · Acetamide, 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)- · 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

https://huagongshe.com/ko/chemical/178934067

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide 분자 구조식

식별자 및 물리적 특성

CAS No.	332947-86-1
분자식	C25H23ClN4O2S
평균 분자량	479 g/mol
SMILES	CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1
InChIKey	LDTSSTDNKUCDNA-UHFFFAOYSA-N

화학 및 물리적 성질

XLogP	5.8
극성 표면적	94.3
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	8
무거운 원자 수	33
형식 전하	0
복잡도	605
밀도	1.28±0.1 g/cm3(Predicted)
pKa(산도 계수)	12.33±0.70(Predicted)