기본 정보
- CAS
5750-96-9- 표준 SMILES
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1- InChIKey
BNZXUCJOWDIHSZ-MUFRIFMGSA-N- 분자식
- C28H29N5O6S
- 평균 분자량
- 563.6 g/mol
- 단동위원소 질량
- 563.18385484
이름 및 식별자
- 우선 이름
- N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
- IUPAC
- N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
이름 및 동의어
5750-96-9N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazideN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideAC1NSMUZDTXSID40416626STL071057AKOS001616717ST50064249(E)-N'-(2,5-dimethoxybenzylidene)-2-((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide315183-64-3N'-(2,5-dimethoxybenzylidene)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetohydrazideN-[(1E)-2-(2,5-dimethoxyphenyl)-1-azavinyl]-2-[4-phenyl-5-(3,4,5-trimethoxyphe nyl)(1,2,4-triazol-3-ylthio)]acetamide
데이터베이스 식별자
- CAS
5750-96-9- PubChem CID
- 5336591
- DTXSID
DTXSID40416626- EC Number
- 143-481-3
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 791
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