기본 정보
- CAS
60247-61-2- 표준 SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)C(=O)C(C)(C)C)c1- InChIKey
KNWWADFQECPVGP-UHFFFAOYSA-N- 분자식
- C41H57ClN2O8S2
- 평균 분자량
- 805.5 g/mol
- 단동위원소 질량
- 804.3244868
이름 및 식별자
- 우선 이름
- Pentanamide, N-(2-chloro-5-((hexadecylsulfonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxo-
- IUPAC
- N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4,4-dimethyl-3-oxopentanamide
- 영어명
- N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]-4,4-dimethyl-3-oxovaleramide
- 분자식
- C41H57ClN2O8S2
- 분자량
- 805.48
이름 및 동의어
EINECS 262-122-2Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-DTXSID50866799N-(2-Chloro-5-(hexadecanesulfonamido)phenyl)-alpha-(4-(4-hydroxyphenylsulfonyl)phenoxy)-alpha-pivaloylacetamidePentanamide, N-(2-chloro-5-((hexadecylsulfonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulfonyl)phenoxy)-4,4-dimethyl-3-oxo-RefChem:859875DTXCID5081504060247-61-2SCHEMBL7539504N-(2-Chloro-5-((hexadecylsulphonyl)amino)phenyl)-2-(4-((4-hydroxyphenyl)sulphonyl)phenoxy)-4,4-dimethyl-3-oxovaleramideNS00056113N-[2-Chloro-5-(hexadecane-1-sulfonamido)phenyl]-2-[4-(4-hydroxybenzene-1-sulfonyl)phenoxy]-4,4-dimethyl-3-oxopentanamide
이름 더 보기
N-[2-Chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxopentanamideN-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]-4,4-dimethyl-3-oxovaleramide
물성
구조 계산 물성
- XLogP
- 12.5
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,310
물리화학적 성질
- 밀도
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.2 · 7.20±0.15(Predicted)
- EPA
- 2 · Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo- (60247-61-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulfonyl]phenoxy]-4,4-dimethyl-3-oxo-: INACTIVE
관련 반응
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