기본 정보
- CAS
329922-00-1- 표준 SMILES
CC(C)(C)CC(C)(C)NC(=O)CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1- InChIKey
RKJIETPICAGKFI-UHFFFAOYSA-N- 분자식
- C24H29FN4OS
- 평균 분자량
- 440.6 g/mol
- 단동위원소 질량
- 440.2046109
이름 및 식별자
- 우선 이름
- 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
- IUPAC
- 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
- 영어명
- 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,1,3,3-tetramethylbutyl)acetamide
- 분자식
- C24H29FN4OS
- 분자량
- 440.58
이름 및 동의어
329922-00-12-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,4-trimethylpentan-2-yl)acetamideCBMicro_037741STK733320AKOS0017492192-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,1,3,3-tetramethylbutyl)acetamideST006341BIM-0037613.P001EU-0053011AG-205/33132033SR-01000535542
이름 더 보기
Acetamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(1,1,3,3-tetramethylbutyl)-
SR-01000535542-12-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,4,4-trimethylpentan-2-yl)acetamide2-[5-(3-fluorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(1,1,3,3-tetramethyl butyl)acetamide
데이터베이스 식별자
- CAS
329922-00-1- PubChem CID
- 1936481
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 85.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 591
물리화학적 성질
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.36 · 14.36±0.46(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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