기본 정보
- CAS
329921-88-2- 표준 SMILES
Cc1cc(C)c(NC(=O)C(C)Sc2nnc(-c3cccc(F)c3)n2-c2ccccc2)c(C)c1- InChIKey
KFDMPMZLNZOTCI-UHFFFAOYSA-N- 분자식
- C26H25FN4OS
- 평균 분자량
- 460.6 g/mol
이름 및 식별자
- 우선 이름
- 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
- IUPAC
- 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
- 영어명
- 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
- 분자식
- C26H25FN4OS
- 분자량
- 460.57
이름 및 동의어
329921-88-22-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamideKFDMPMZLNZOTCI-UHFFFAOYSA-N2-([5-(3-Fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl)-N-(2,4,6-trimethylphenyl)propanamideCBMicro_037519Oprea1_214751STK508181AKOS001749699AKOS022014844ST006322BIM-0037620.P001
이름 더 보기
Propanamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)-
AG-205/33119052SR-01000535342SR-01000535342-12-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-mesitylpropanamide2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylpropanamide2-[5-(3-fluorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(2,4,6-trimethylphen yl)propanamide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 85.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 636
물리화학적 성질
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.18 · 13.18±0.70(Predicted)
화학 및 산업
공급사1 곳
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
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