기본 정보
- CAS
371771-01-6- 표준 SMILES
CSCC(C)(C)NC(=O)c1ccccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C- InChIKey
JLMYVIUNFXYEBU-UHFFFAOYSA-N- 분자식
- C23H23F7N2O2S
- 평균 분자량
- 524.5 g/mol
- 단동위원소 질량
- 524.13684629
이름 및 식별자
- 우선 이름
- N-(1,1-Dimethyl-2-methylthioethyl)-N'-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]phthalamide
- IUPAC
- 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-2-N-(2-methyl-1-methylsulfanylpropan-2-yl)benzene-1,2-dicarboxamide
이름 및 동의어
SCHEMBL5178451DTXSID801102499371771-01-6N-(1,1-Dimethyl-2-methylthioethyl)-N'-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]phthalamideN1-[1,1-Dimethyl-2-(methylthio)ethyl]-N2-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamideN2-[1,1-dimethyl-2-(methyl-thio)ethyl]-N1-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}-1,2-benzenedicarboxamideN2-[1,1-dimethyl-2-(methylthio)ethyl]-N1-{2-methyl-4-{1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl}phenyl}-1,2-benzenedicarboxamide
데이터베이스 식별자
- CAS
371771-01-6- PubChem CID
- 22066226
- DTXSID
DTXSID801102499- EC Number
- 609-337-3
- Nikkaji
- J2.327.480I
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 83.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 743
관련 반응
3건
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