기본 정보
- CAS
60233-31-0- 표준 SMILES
CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3cnc(Cl)n3)c2)c(C(C)(C)CC)c1- InChIKey
ATJHJQBHCWMUBT-UHFFFAOYSA-N- 분자식
- C35H47Cl2N5O4
- 평균 분자량
- 672.7 g/mol
- 단동위원소 질량
- 671.3005104
이름 및 식별자
- 우선 이름
- 1H-1,2,4-Triazole-1-acetamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-
- IUPAC
- N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide
- 영어명
- N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-alpha-(2,2-dimethylpropionyl)-1H-1,2,4-triazol-1-acetamide
- 분자식
- C35H47Cl2N5O4
- 분자량
- 672.68
이름 및 동의어
EINECS 262-112-860233-31-0DTXSID008861641H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-.alpha.-(2,2-dimethyl-1-oxopropyl)-1H-1,2,4-Triazole-1-acetamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-N-(5-((4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-1H-1,2,4-triazole-1-acetamide1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-1H-1,2,4-triazole-1-acetamideRefChem:437874DTXCID701025505ATJHJQBHCWMUBT-UHFFFAOYSA-NN-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-2-(3-chloro-1H-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide
물성
구조 계산 물성
- XLogP
- 10.1
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,030
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.92 · -3.92±0.50(Predicted)
- EPA
- 1 H-1,2,4-Triazole-1-acetamide, · 1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-.alpha.-(2,2-dimethyl-1-oxopropyl)- (60233-31-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-.alpha.-(2,2-dimethyl-1-oxopropyl)-: INACTIVE
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