2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide

Acetamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1,1,3,3-tetramethylbutyl)- · 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,1,3,3-tetramethylbutyl)acetamide

https://huagongshe.com/ko/chemical/178697313

2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide 분자 구조식

식별자 및 물리적 특성

CAS No.	329922-00-1
분자식	C24H29FN4OS
평균 분자량	440.6 g/mol
단동위원소 질량	440.2046109 g/mol
SMILES	CC(C)(C)CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1
InChIKey	RKJIETPICAGKFI-UHFFFAOYSA-N
PubChem CID	1936481

화학 및 물리적 성질

XLogP	5.7
극성 표면적	85.1
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	8
무거운 원자 수	31
형식 전하	0
복잡도	591
밀도	1.16±0.1 g/cm3(Predicted)
pKa(산도 계수)	14.36±0.46(Predicted)